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Showing NP-Card for L-Iditol (NP0001346)

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Record Information
Version2.0
Created at2009-01-30 14:52:50 UTC
Updated at2024-09-17 15:44:57 UTC
NP-MRD IDNP0001346
Secondary Accession NumbersNone
Natural Product Identification
Common NameL-Iditol
DescriptionL-Iditol, also known as L-idit or D-dulcitol, belongs to the class of organic compounds known as sugar alcohols. These are hydrogenated forms of carbohydrate in which the carbonyl group (aldehyde or ketone, reducing sugar) has been reduced to a primary or secondary hydroxyl group. L-Iditol exists in all living species, ranging from bacteria to humans. L-Iditol has been detected, but not quantified, in several different foods, such as saffrons, adzuki beans, custard apples, pepper (c. Frutescens), and boysenberries. This could make L-iditol a potential biomarker for the consumption of these foods.
Structure
Thumb
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for NP0001346 (L-Iditol)


  Mrv1652305271900182D          

 12 11  0  0  1  0            999 V2000
    5.9494   -8.8909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6639   -8.4784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3784   -8.8909    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0928   -8.4784    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8074   -8.8909    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5218   -8.4784    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2363   -8.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9508   -8.4784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5218   -7.6534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8074   -9.7159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0928   -7.6534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3784   -9.7159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  6  9  1  1  0  0  0
  5 10  1  1  0  0  0
  4 11  1  1  0  0  0
  3 12  1  1  0  0  0
M  END
Download

3D MOL for NP0001346 (L-Iditol)

HMDB0011632
     RDKit          3D
L-Iditol
 26 25  0  0  0  0  0  0  0  0999 V2000
   -2.1491    1.8232    0.6423 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2410    0.6161    1.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9216   -0.4925    0.3530 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9907   -1.7326    1.0022 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5707   -0.3246   -0.2742 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5342    0.9179   -0.9021 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5697   -0.5334    0.6641 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6265    0.4255    1.6587 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8724   -0.7384   -0.0372 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7808   -1.6911   -1.0410 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5565    0.4924   -0.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9466    1.1084   -1.5903 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0221    2.2468    0.5541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6060    0.5500    2.2221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2961    0.5155    1.7059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6836   -0.5218   -0.4647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6291   -1.6814    1.7362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5316   -1.1226   -1.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9226    0.8155   -1.7918 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3369   -1.5143    1.2136 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1525    0.0272    2.4081 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5598   -1.2274    0.7352 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4877   -1.4664   -1.7186 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5868    0.1792   -0.8592 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7294    1.2461    0.2694 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8928    2.0826   -1.4846 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  6
  4 17  1  0
  5 18  1  6
  6 19  1  0
  7 20  1  1
  8 21  1  0
  9 22  1  1
 10 23  1  0
 11 24  1  0
 11 25  1  0
 12 26  1  0
M  END
Download

3D SDF for NP0001346 (L-Iditol)


  Mrv1652305271900182D          

 12 11  0  0  1  0            999 V2000
    5.9494   -8.8909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6639   -8.4784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3784   -8.8909    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0928   -8.4784    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8074   -8.8909    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5218   -8.4784    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2363   -8.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9508   -8.4784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5218   -7.6534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8074   -9.7159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0928   -7.6534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3784   -9.7159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  6  9  1  1  0  0  0
  5 10  1  1  0  0  0
  4 11  1  1  0  0  0
  3 12  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0001346

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO

> <INCHI_IDENTIFIER>
InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5+,6+/m0/s1

> <INCHI_KEY>
FBPFZTCFMRRESA-UNTFVMJOSA-N

> <FORMULA>
C6H14O6

> <MOLECULAR_WEIGHT>
182.1718

> <EXACT_MASS>
182.07903818

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
17.143868562582828

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol

> <ALOGPS_LOGP>
-2.68

> <JCHEM_LOGP>
-3.7300188486666666

> <ALOGPS_LOGS>
0.10

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.37874915684328

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.585200956788803

> <JCHEM_PKA_STRONGEST_BASIC>
-2.974211614825128

> <JCHEM_POLAR_SURFACE_AREA>
121.38000000000001

> <JCHEM_REFRACTIVITY>
38.4036

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.29e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
L-iditol

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for NP0001346 (L-Iditol)

HMDB0011632
     RDKit          3D
L-Iditol
 26 25  0  0  0  0  0  0  0  0999 V2000
   -2.1491    1.8232    0.6423 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2410    0.6161    1.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9216   -0.4925    0.3530 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9907   -1.7326    1.0022 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5707   -0.3246   -0.2742 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5342    0.9179   -0.9021 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5697   -0.5334    0.6641 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6265    0.4255    1.6587 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8724   -0.7384   -0.0372 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7808   -1.6911   -1.0410 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5565    0.4924   -0.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9466    1.1084   -1.5903 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0221    2.2468    0.5541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6060    0.5500    2.2221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2961    0.5155    1.7059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6836   -0.5218   -0.4647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6291   -1.6814    1.7362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5316   -1.1226   -1.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9226    0.8155   -1.7918 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3369   -1.5143    1.2136 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1525    0.0272    2.4081 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5598   -1.2274    0.7352 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4877   -1.4664   -1.7186 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5868    0.1792   -0.8592 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7294    1.2461    0.2694 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8928    2.0826   -1.4846 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  6
  4 17  1  0
  5 18  1  6
  6 19  1  0
  7 20  1  1
  8 21  1  0
  9 22  1  1
 10 23  1  0
 11 24  1  0
 11 25  1  0
 12 26  1  0
M  END
Download

PDB for NP0001346 (L-Iditol)

HEADER    PROTEIN                                 27-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-MAY-19         0                                  
HETATM    1  O   UNK     0      11.106 -16.596   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      12.439 -15.826   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      13.773 -16.596   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      15.107 -15.826   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      16.440 -16.596   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      17.774 -15.826   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      19.108 -16.596   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      20.441 -15.826   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      17.774 -14.286   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      16.440 -18.136   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      15.107 -14.286   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      13.773 -18.136   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   12                                                  
CONECT    4    3    5   11                                                  
CONECT    5    4    6   10                                                  
CONECT    6    5    7    9                                                  
CONECT    7    6    8                                                       
CONECT    8    7                                                            
CONECT    9    6                                                            
CONECT   10    5                                                            
CONECT   11    4                                                            
CONECT   12    3                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   22    0
END
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3D PDB for NP0001346 (L-Iditol)

COMPND    HMDB0011632
HETATM    1  O1  UNL     1      -2.149   1.823   0.642  1.00  0.00           O  
HETATM    2  C1  UNL     1      -2.241   0.616   1.321  1.00  0.00           C  
HETATM    3  C2  UNL     1      -1.922  -0.492   0.353  1.00  0.00           C  
HETATM    4  O2  UNL     1      -1.991  -1.733   1.002  1.00  0.00           O  
HETATM    5  C3  UNL     1      -0.571  -0.325  -0.274  1.00  0.00           C  
HETATM    6  O3  UNL     1      -0.534   0.918  -0.902  1.00  0.00           O  
HETATM    7  C4  UNL     1       0.570  -0.533   0.664  1.00  0.00           C  
HETATM    8  O4  UNL     1       0.626   0.425   1.659  1.00  0.00           O  
HETATM    9  C5  UNL     1       1.872  -0.738  -0.037  1.00  0.00           C  
HETATM   10  O5  UNL     1       1.781  -1.691  -1.041  1.00  0.00           O  
HETATM   11  C6  UNL     1       2.556   0.492  -0.523  1.00  0.00           C  
HETATM   12  O6  UNL     1       1.947   1.108  -1.590  1.00  0.00           O  
HETATM   13  H1  UNL     1      -3.022   2.247   0.554  1.00  0.00           H  
HETATM   14  H2  UNL     1      -1.606   0.550   2.222  1.00  0.00           H  
HETATM   15  H3  UNL     1      -3.296   0.516   1.706  1.00  0.00           H  
HETATM   16  H4  UNL     1      -2.684  -0.522  -0.465  1.00  0.00           H  
HETATM   17  H5  UNL     1      -2.629  -1.681   1.736  1.00  0.00           H  
HETATM   18  H6  UNL     1      -0.532  -1.123  -1.091  1.00  0.00           H  
HETATM   19  H7  UNL     1      -0.923   0.815  -1.792  1.00  0.00           H  
HETATM   20  H8  UNL     1       0.337  -1.514   1.214  1.00  0.00           H  
HETATM   21  H9  UNL     1       1.153   0.027   2.408  1.00  0.00           H  
HETATM   22  H10 UNL     1       2.560  -1.227   0.735  1.00  0.00           H  
HETATM   23  H11 UNL     1       2.488  -1.466  -1.719  1.00  0.00           H  
HETATM   24  H12 UNL     1       3.587   0.179  -0.859  1.00  0.00           H  
HETATM   25  H13 UNL     1       2.729   1.246   0.269  1.00  0.00           H  
HETATM   26  H14 UNL     1       1.893   2.083  -1.485  1.00  0.00           H  
CONECT    1    2   13
CONECT    2    3   14   15
CONECT    3    4    5   16
CONECT    4   17
CONECT    5    6    7   18
CONECT    6   19
CONECT    7    8    9   20
CONECT    8   21
CONECT    9   10   11   22
CONECT   10   23
CONECT   11   12   24   25
CONECT   12   26
END
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SMILES for NP0001346 (L-Iditol)

OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO
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INCHI for NP0001346 (L-Iditol)

InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5+,6+/m0/s1
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View in JSmolView NMR Assignments
Synonyms
ValueSource
(2S,3R,4R,5S)-Hexane-1,2,3,4,5,6-hexolChEBI
L-IditChEBI
Cordycepic acidHMDB
D-DulcitolHMDB
D-GalactitolHMDB
DulciteHMDB
DulcitolHMDB
DulcoseHMDB
GalactitolHMDB
GlucitolHMDB
Hexahydric alcoholHMDB
HexahydroxyhexaneHMDB
HexitolHMDB
Iso-sorbideHMDB
IsotolHMDB
KarionHMDB
L-GulitolHMDB
Manna sugarHMDB
MannitHMDB
ManniteHMDB
MeglumineHMDB
MitobronitolHMDB
SionitHMDB
SiononHMDB
SiosanHMDB
SorboHMDB
SorbolHMDB
IditolHMDB
Chemical FormulaC6H14O6
Average Mass182.1718 Da
Monoisotopic Mass182.07904 Da
IUPAC Name(2S,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol
Traditional NameL-iditol
CAS Registry Number488-45-9
SMILES
OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO
InChI Identifier
InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5+,6+/m0/s1
InChI KeyFBPFZTCFMRRESA-UNTFVMJOSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Predicted Spectra
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 25 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 252 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 50 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 75 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 101 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 176 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 201 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 226 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Anas platyrhynchosFooDB
AnatidaeFooDB
Anser anserFooDB
Bison bisonFooDB
Bos taurusFooDB
Bos taurus X Bison bisonFooDB
Bubalus bubalisFooDB
Capra aegagrus hircusFooDB
CervidaeFooDB
Cervus canadensisFooDB
ColumbaFooDB
ColumbidaeFooDB
Daucus carotaLOTUS Database
Dromaius novaehollandiaeFooDB
Equus caballusFooDB
Gallus gallusFooDB
Lagopus mutaFooDB
LeporidaeFooDB
Lepus timidusFooDB
Melanitta fuscaFooDB
Meleagris gallopavoFooDB
Numida meleagrisFooDB
OdocoileusFooDB
OryctolagusFooDB
Ovis ariesFooDB
PhasianidaeFooDB
Phasianus colchicusFooDB
Struthio camelusFooDB
Stypopodium flabelliformeLOTUS Database
Stypopodium schimperiLOTUS Database
Sus scrofaFooDB
Sus scrofa domesticaFooDB
Chemical Taxonomy
Description Belongs to the class of organic compounds known as sugar alcohols. These are hydrogenated forms of carbohydrate in which the carbonyl group (aldehyde or ketone, reducing sugar) has been reduced to a primary or secondary hydroxyl group.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentSugar alcohols
Alternative Parents
Substituents
  • Sugar alcohol
  • Monosaccharide
  • Secondary alcohol
  • Polyol
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
Water Solubility229 g/LALOGPS
logP-2.7ALOGPS
logP-3.7ChemAxon
logS0.1ALOGPS
pKa (Strongest Acidic)12.59ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area121.38 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity38.4 m³·mol⁻¹ChemAxon
Polarizability17.14 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0011632
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB028331
KNApSAcK IDNot Available
Chemspider ID4573729
KEGG Compound IDC01507
BioCyc IDCPD-369
BiGG IDNot Available
Wikipedia LinkIditol
METLIN IDNot Available
PubChem Compound5460044
PDB IDNot Available
ChEBI ID18202
Good Scents IDNot Available
References
General References
  1. MARCUS L, MARR AG: Polyol dehydrogenases of Azotobacter agilis. J Bacteriol. 1961 Aug;82:224-32. doi: 10.1128/jb.82.2.224-232.1961. [PubMed:13766585 ]
  2. Ogawa M, Sawada T, Okuda T, Suhara Y, Maruyama HB: Microbial Production of Optically Pure l-Iditol by Yeast Strains. Appl Environ Microbiol. 1983 Oct;46(4):912-6. doi: 10.1128/aem.46.4.912-916.1983. [PubMed:16346404 ]
  3. Cruz-Arevalo J, Sanchez JE, Gonzalez-Cortazar M, Zamilpa A, Andrade-Gallegos RH, Mendoza-de-Gives P, Aguilar-Marcelino L: Chemical Composition of an Anthelmintic Fraction of Pleurotus eryngii against Eggs and Infective Larvae (L3) of Haemonchus contortus. Biomed Res Int. 2020 Aug 6;2020:4138950. doi: 10.1155/2020/4138950. eCollection 2020. [PubMed:32832548 ]
  4. Mukherjee K, Narindoshvili T, Raushel FM: Discovery of a Kojibiose Phosphorylase in Escherichia coli K-12. Biochemistry. 2018 May 15;57(19):2857-2867. doi: 10.1021/acs.biochem.8b00392. Epub 2018 Apr 30. [PubMed:29684280 ]
  5. Adamczyk J, Deregowska A, Skoneczny M, Skoneczna A, Natkanska U, Kwiatkowska A, Rawska E, Potocki L, Kuna E, Panek A, Lewinska A, Wnuk M: Copy number variations of genes involved in stress responses reflect the redox state and DNA damage in brewing yeasts. Cell Stress Chaperones. 2016 Sep;21(5):849-64. doi: 10.1007/s12192-016-0710-8. Epub 2016 Jun 14. [PubMed:27299603 ]
  6. Deregowska A, Skoneczny M, Adamczyk J, Kwiatkowska A, Rawska E, Skoneczna A, Lewinska A, Wnuk M: Genome-wide array-CGH analysis reveals YRF1 gene copy number variation that modulates genetic stability in distillery yeasts. Oncotarget. 2015 Oct 13;6(31):30650-63. doi: 10.18632/oncotarget.5594. [PubMed:26384347 ]
  7. Davies SG, Foster EM, Lee JA, Roberts PM, Thomson JE: Stereospecific cyclization strategies for alpha,epsilon-dihydroxy-beta-amino esters: asymmetric syntheses of imino and amino sugars. J Org Chem. 2014 Oct 17;79(20):9686-98. doi: 10.1021/jo5018298. Epub 2014 Sep 30. [PubMed:25203863 ]
  8. Zweckmair T, Bohmdorfer S, Bogolitsyna A, Rosenau T, Potthast A, Novalin S: Accurate analysis of formose reaction products by LC-UV: an analytical challenge. J Chromatogr Sci. 2014 Feb;52(2):169-75. doi: 10.1093/chromsci/bmt004. Epub 2013 Feb 1. [PubMed:23377653 ]
  9. Gibson JG, Cho JY, Fronczek FR, Watkins SF: Monoclinic polymorph of 2,5-dide-oxy-2,5-epithio-1,3:4,6-bis-O-[(R)-phenyl-methyl-ene]-l-iditol. Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2668-9. doi: 10.1107/S1600536812034514. Epub 2012 Aug 11. [PubMed:22969563 ]
  10. Sola-Carvajal A, Garcia-Garcia MI, Sanchez-Carron G, Garcia-Carmona F, Sanchez-Ferrer A: Functional assignment of gene AAC16202.1 from Rhodobacter capsulatus SB1003: new insights into the bacterial SDR sorbitol dehydrogenases family. Biochimie. 2012 Nov;94(11):2407-15. doi: 10.1016/j.biochi.2012.06.018. Epub 2012 Jul 4. [PubMed:22771766 ]
  11. Oosaka K: Possibility as monosaccharide laxative of rare sugar alcohols. Yakugaku Zasshi. 2009 May;129(5):575-80. doi: 10.1248/yakushi.129.575. [PubMed:19420888 ]