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Showing NP-Card for D-Galactono-1,4-lactone (NP0002626)

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Record Information
Version1.0
Created at2020-11-23 18:25:33 UTC
Updated at2021-08-12 19:51:41 UTC
NP-MRD IDNP0002626
Secondary Accession NumbersNone
Natural Product Identification
Common NameD-Galactono-1,4-lactone
Provided ByBMRBBMRB logo
DescriptionD-glucono-1,4-lactone, also known as D-gluconate g-lactone, belongs to the class of organic compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. D-Galactono-1,4-lactone is found in Talaromyces flavus. It was first documented in 1992 (PMID: 1598757). Based on a literature review very few articles have been published on D-glucono-1,4-lactone (PMID: 17984079) (PMID: 20873960) (PMID: 11890895).
Structure
Thumb
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for NP0002626 (D-Galactono-1,4-lactone)


     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
   -1.4758   -2.9657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1540   -1.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2204   -0.8998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0737    0.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5737    0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0736    0.5727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5635   -0.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5533   -2.4171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3914    0.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9182    2.3382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1502   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3577    0.5107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4210    2.0522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5838    2.0828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8324    1.8666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7887   -1.1048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0635   -0.9273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8473   -3.1759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7575    1.5341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5033    2.8170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1614   -1.4871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7321   -0.0901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  4  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11  2  1  0
  4 13  1  6
  5 14  1  1
  6 15  1  0
  7 16  1  6
  7 17  1  0
  8 18  1  0
  9 19  1  6
 10 20  1  0
 11 21  1  1
 12 22  1  0
M  END
Download

3D MOL for NP0002626 (D-Galactono-1,4-lactone)

NP0002626
     RDKit          3D

 22 22  0  0  0  0  0  0  0  0999 V2000
    1.8866   -2.8423    0.2358 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4260   -1.6782    0.3370 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0972   -1.3489    0.5661 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1203    0.0165    0.2848 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2658    0.1865   -0.6706 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4646    1.5365   -0.9356 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5292   -0.3276    0.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7319    0.3728    1.1979 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1682    0.5716   -0.2002 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2550    0.7217   -1.5641 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2273   -0.4492    0.2287 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7154   -0.0262    1.4822 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3993    0.5112    1.2339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0682   -0.4122   -1.5783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0014    1.5858   -1.7789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4146   -0.1498   -0.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4592   -1.4156    0.2245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4151   -0.1079    2.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3878    1.5732    0.2607 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1005    1.2114   -1.7557 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0237   -0.4945   -0.5314 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5821    0.9650    1.5594 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  4  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11  2  1  0
  4 13  1  1
  5 14  1  6
  6 15  1  0
  7 16  1  0
  7 17  1  0
  8 18  1  0
  9 19  1  1
 10 20  1  0
 11 21  1  6
 12 22  1  0
M  END
Download

3D SDF for NP0002626 (D-Galactono-1,4-lactone)


     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
   -1.4758   -2.9657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1540   -1.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2204   -0.8998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0737    0.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5737    0.5828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0736    0.5727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5635   -0.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5533   -2.4171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3914    0.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9182    2.3382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1502   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3577    0.5107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4210    2.0522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5838    2.0828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8324    1.8666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7887   -1.1048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0635   -0.9273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8473   -3.1759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7575    1.5341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5033    2.8170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1614   -1.4871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7321   -0.0901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  4  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11  2  1  0
  4 13  1  6
  5 14  1  1
  6 15  1  0
  7 16  1  6
  7 17  1  0
  8 18  1  0
  9 19  1  6
 10 20  1  0
 11 21  1  1
 12 22  1  0
M  END
> <DATABASE_ID>
NP0002626

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@](O)(CO)[C@@]1([H])OC(=O)[C@]([H])(O)[C@@]1([H])O

> <INCHI_IDENTIFIER>
InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3-,4-,5-/m1/s1

> <INCHI_KEY>
SXZYCXMUPBBULW-TXICZTDVSA-N

> <FORMULA>
C6H10O6

> <MOLECULAR_WEIGHT>
178.14

> <EXACT_MASS>
178.047738052

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
15.473228917183935

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one

> <ALOGPS_LOGP>
-2.05

> <JCHEM_LOGP>
-2.745273186

> <ALOGPS_LOGS>
0.55

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.172871312116015

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.623539809865173

> <JCHEM_PKA_STRONGEST_BASIC>
-2.974938008499871

> <JCHEM_POLAR_SURFACE_AREA>
107.22000000000001

> <JCHEM_REFRACTIVITY>
34.7788

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.37e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
D-glucono-1,4-lactone

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for NP0002626 (D-Galactono-1,4-lactone)

NP0002626
     RDKit          3D

 22 22  0  0  0  0  0  0  0  0999 V2000
    1.8866   -2.8423    0.2358 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4260   -1.6782    0.3370 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0972   -1.3489    0.5661 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1203    0.0165    0.2848 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2658    0.1865   -0.6706 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4646    1.5365   -0.9356 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5292   -0.3276    0.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7319    0.3728    1.1979 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1682    0.5716   -0.2002 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2550    0.7217   -1.5641 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2273   -0.4492    0.2287 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7154   -0.0262    1.4822 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3993    0.5112    1.2339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0682   -0.4122   -1.5783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0014    1.5858   -1.7789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4146   -0.1498   -0.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4592   -1.4156    0.2245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4151   -0.1079    2.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3878    1.5732    0.2607 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1005    1.2114   -1.7557 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0237   -0.4945   -0.5314 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5821    0.9650    1.5594 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  4  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11  2  1  0
  4 13  1  1
  5 14  1  6
  6 15  1  0
  7 16  1  0
  7 17  1  0
  8 18  1  0
  9 19  1  1
 10 20  1  0
 11 21  1  6
 12 22  1  0
M  END
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PDB for NP0002626 (D-Galactono-1,4-lactone)

HEADER    PROTEIN                                 04-SEP-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-12         0                                  
HETATM    1  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   13  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   14  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   15  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   16  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
CONECT    1    2    7                                                       
CONECT    2    1    5    8   13                                             
CONECT    3    4    5    9   14                                             
CONECT    4    3    6   10   15                                             
CONECT    5    2    3   12   16                                             
CONECT    6    4   11   12                                                  
CONECT    7    1                                                            
CONECT    8    2                                                            
CONECT    9    3                                                            
CONECT   10    4                                                            
CONECT   11    6                                                            
CONECT   12    5    6                                                       
CONECT   13    2                                                            
CONECT   14    3                                                            
CONECT   15    4                                                            
CONECT   16    5                                                            
MASTER        0    0    0    0    0    0    0    0   16    0   32    0
END
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3D PDB for NP0002626 (D-Galactono-1,4-lactone)

COMPND    NP0002626
HETATM    1  O1  UNL     1       1.887  -2.842   0.236  1.00  0.00           O  
HETATM    2  C1  UNL     1       1.426  -1.678   0.337  1.00  0.00           C  
HETATM    3  O2  UNL     1       0.097  -1.349   0.566  1.00  0.00           O  
HETATM    4  C2  UNL     1      -0.120   0.017   0.285  1.00  0.00           C  
HETATM    5  C3  UNL     1      -1.266   0.186  -0.671  1.00  0.00           C  
HETATM    6  O3  UNL     1      -1.465   1.537  -0.936  1.00  0.00           O  
HETATM    7  C4  UNL     1      -2.529  -0.328   0.023  1.00  0.00           C  
HETATM    8  O4  UNL     1      -2.732   0.373   1.198  1.00  0.00           O  
HETATM    9  C5  UNL     1       1.168   0.572  -0.200  1.00  0.00           C  
HETATM   10  O5  UNL     1       1.255   0.722  -1.564  1.00  0.00           O  
HETATM   11  C6  UNL     1       2.227  -0.449   0.229  1.00  0.00           C  
HETATM   12  O6  UNL     1       2.715  -0.026   1.482  1.00  0.00           O  
HETATM   13  H1  UNL     1      -0.399   0.511   1.234  1.00  0.00           H  
HETATM   14  H2  UNL     1      -1.068  -0.412  -1.578  1.00  0.00           H  
HETATM   15  H3  UNL     1      -2.001   1.586  -1.779  1.00  0.00           H  
HETATM   16  H4  UNL     1      -3.415  -0.150  -0.626  1.00  0.00           H  
HETATM   17  H5  UNL     1      -2.459  -1.416   0.225  1.00  0.00           H  
HETATM   18  H6  UNL     1      -2.415  -0.108   2.006  1.00  0.00           H  
HETATM   19  H7  UNL     1       1.388   1.573   0.261  1.00  0.00           H  
HETATM   20  H8  UNL     1       2.100   1.211  -1.756  1.00  0.00           H  
HETATM   21  H9  UNL     1       3.024  -0.494  -0.531  1.00  0.00           H  
HETATM   22  H10 UNL     1       2.582   0.965   1.559  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   11
CONECT    3    4
CONECT    4    5    9   13
CONECT    5    6    7   14
CONECT    6   15
CONECT    7    8   16   17
CONECT    8   18
CONECT    9   10   11   19
CONECT   10   20
CONECT   11   12   21
CONECT   12   22
END
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SMILES for NP0002626 (D-Galactono-1,4-lactone)

[H][C@@](O)(CO)[C@@]1([H])OC(=O)[C@]([H])(O)[C@@]1([H])O
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INCHI for NP0002626 (D-Galactono-1,4-lactone)

InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3-,4-,5-/m1/s1
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Synonyms
ValueSource
D-Gluconic acid gamma-lactoneChEBI
D-Gluconic acid, gamma-lactoneChEBI
Glucono-gamma-lactoneChEBI
D-Gluconate g-lactoneGenerator
D-Gluconate gamma-lactoneGenerator
D-Gluconate γ-lactoneGenerator
D-Gluconic acid g-lactoneGenerator
D-Gluconic acid γ-lactoneGenerator
D-Gluconate, g-lactoneGenerator
D-Gluconate, gamma-lactoneGenerator
D-Gluconate, γ-lactoneGenerator
D-Gluconic acid, g-lactoneGenerator
D-Gluconic acid, γ-lactoneGenerator
Glucono-g-lactoneGenerator
Glucono-γ-lactoneGenerator
glucono-1,4-LactoneMeSH
Chemical FormulaC6H10O6
Average Mass178.1400 Da
Monoisotopic Mass178.04774 Da
IUPAC Name(3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one
Traditional NameD-glucono-1,4-lactone
CAS Registry NumberNot Available
SMILES
[H][C@@](O)(CO)[C@@]1([H])OC(=O)[C@]([H])(O)[C@@]1([H])O
InChI Identifier
InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3-,4-,5-/m1/s1
InChI KeySXZYCXMUPBBULW-TXICZTDVSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, experimental)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Talaromyces flavusLOTUS Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassLactones
Sub ClassGamma butyrolactones
Direct ParentGamma butyrolactones
Alternative Parents
Substituents
  • Gamma butyrolactone
  • Tetrahydrofuran
  • Secondary alcohol
  • Carboxylic acid ester
  • Oxacycle
  • Monocarboxylic acid or derivatives
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Primary alcohol
  • Organooxygen compound
  • Carbonyl group
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-2ALOGPS
logP-2.7ChemAxon
logS0.55ALOGPS
pKa (Strongest Acidic)11.62ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area107.22 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity34.78 m³·mol⁻¹ChemAxon
Polarizability15.47 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID92162
KEGG Compound IDNot Available
BioCyc IDGLUCONOGAMMALACTONE
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID16165
Good Scents IDNot Available
References
General References
  1. Ulrich EL, Akutsu H, Doreleijers JF, Harano Y, Ioannidis YE, Lin J, Livny M, Mading S, Maziuk D, Miller Z, Nakatani E, Schulte CF, Tolmie DE, Kent Wenger R, Yao H, Markley JL: BioMagResBank. Nucleic Acids Res. 2008 Jan;36(Database issue):D402-8. doi: 10.1093/nar/gkm957. Epub 2007 Nov 4. [PubMed:17984079 ]
  2. Zeng Y, Li Y, Gu Y, Zhang S: [Studies on the beta-D-fucosidase from Aspergillus phoenicis]. Wei Sheng Wu Xue Bao. 1992 Apr;32(2):105-14. [PubMed:1598757 ]
  3. Saluk-Juszczak J: A comparative study of antioxidative activity of calcium-D-glucarate, sodium-D-gluconate and D-glucono-1,4-lactone in a human blood platelet model. Platelets. 2010;21(8):632-40. doi: 10.3109/09537104.2010.512210. Epub 2010 Sep 27. [PubMed:20873960 ]
  4. Singh J, DiMarco J, Kissick TP, Deshpande P, Gougoutas JZ: Confirmation of the structure of tetra-O-(tert-butyldimethylsilyl)-D-glucono-1,4-lactone formed by silylation of D-glucono-1,5-lactone. Carbohydr Res. 2002 Mar 15;337(6):565-8. doi: 10.1016/s0008-6215(02)00014-9. [PubMed:11890895 ]