NP-MRD: Showing NP-Card for (2r,3r,4r,5s,6r)-6-(hydroxymethyl)-5-[4-(hydroxymethyl)-3,5-dimethoxyphenoxy]oxane-2,3,4-triol (NP0306020)

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Record Information

Version

2.0

Created at

2022-09-10 22:14:42 UTC

Updated at

2022-09-10 22:14:42 UTC

NP-MRD ID

NP0306020

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r,3r,4r,5s,6r)-6-(hydroxymethyl)-5-[4-(hydroxymethyl)-3,5-dimethoxyphenoxy]oxane-2,3,4-triol

Description

(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[4-(hydroxymethyl)-3,5-dimethoxyphenoxy]oxane-2,3,4-triol belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups. (2r,3r,4r,5s,6r)-6-(hydroxymethyl)-5-[4-(hydroxymethyl)-3,5-dimethoxyphenoxy]oxane-2,3,4-triol is found in Acer saccharum. Based on a literature review very few articles have been published on (2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[4-(hydroxymethyl)-3,5-dimethoxyphenoxy]oxane-2,3,4-triol.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 46 47  0  0  0  0  0  0  0  0999 V2000
    4.0840    3.5276    0.5165 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1360    2.1772    0.3334 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0779    1.2815    0.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7779    1.7006    0.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.7318   -0.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5779    1.1479   -0.2591 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6761    0.3060   -0.4478 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9312    1.0561   -0.8038 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5882    0.5608   -2.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5925    1.4806   -2.4198 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8622    1.1740    0.2127 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2758    0.0161    0.8092 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.5125   -0.3997    0.3601 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2603   -1.0913    0.7593 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4986   -1.9575    1.8438 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9075   -0.3901    0.9291 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0229   -1.3953    1.1420 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1045   -0.5492   -0.3561 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4136   -1.0050   -0.2782 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7508   -2.2702   -0.4136 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1079   -3.4491   -0.5715 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4014   -0.0551   -0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8044   -0.4705    0.2518 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5239   -0.8353   -0.8640 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0853    3.9638    0.3889 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5430    3.8331    1.4626 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7089    3.9644   -0.3449 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5008    2.7341    0.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5023   -0.5459   -1.1112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6045    2.0915   -1.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0282   -0.4227   -2.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7663    0.6094   -2.8726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5397    1.8702   -3.3003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4093    0.2512    1.9171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1120    0.3468    0.2282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2248   -1.6816   -0.1400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6407   -2.8961    1.5426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9803    0.3586    1.7020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5256   -1.2790    1.9769 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3530   -1.3019   -0.6924 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0708   -3.4925   -0.9401 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7444   -4.2821   -0.9759 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9692   -3.8631    0.5499 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6334   -1.5629    0.7326 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2345    0.1388    1.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2640   -0.1259   -1.0137 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  2  0
 22 23  1  0
 23 24  1  0
 22  3  1  0
 16  7  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  4 28  1  0
  7 29  1  6
  8 30  1  6
  9 31  1  0
  9 32  1  0
 10 33  1  0
 12 34  1  1
 13 35  1  0
 14 36  1  6
 15 37  1  0
 16 38  1  1
 17 39  1  0
 18 40  1  0
 21 41  1  0
 21 42  1  0
 21 43  1  0
 23 44  1  0
 23 45  1  0
 24 46  1  0
M  END


  Mrv1652309112200142D          

 24 25  0  0  1  0            999 V2000
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 12 14  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
  7 16  1  0  0  0  0
 16 17  1  1  0  0  0
  5 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  2  0  0  0  0
  3 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0306020

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)=CC(OC)=C1CO

> <INCHI_IDENTIFIER>
InChI=1S/C15H22O9/c1-21-9-3-7(4-10(22-2)8(9)5-16)23-14-11(6-17)24-15(20)13(19)12(14)18/h3-4,11-20H,5-6H2,1-2H3/t11-,12-,13-,14-,15-/m1/s1

> <INCHI_KEY>
UNSACEOBUSYVIQ-KJWHEZOQSA-N

> <FORMULA>
C15H22O9

> <MOLECULAR_WEIGHT>
346.332

> <EXACT_MASS>
346.126382288

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
46

> <JCHEM_AVERAGE_POLARIZABILITY>
33.64477659067306

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[4-(hydroxymethyl)-3,5-dimethoxyphenoxy]oxane-2,3,4-triol

> <JCHEM_LOGP>
-1.6810798976666665

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.866587548251665

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.304587647885459

> <JCHEM_PKA_STRONGEST_BASIC>
-2.98172685179032

> <JCHEM_POLAR_SURFACE_AREA>
138.07000000000002

> <JCHEM_REFRACTIVITY>
79.92559999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[4-(hydroxymethyl)-3,5-dimethoxyphenoxy]oxane-2,3,4-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 11-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-22         0                                  
HETATM    1  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       6.668  -5.390   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.002  -7.700   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.336  -6.930   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      10.669  -7.700   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       8.002  -9.240   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       6.668 -10.010   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       6.668 -11.550   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       5.335  -9.240   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       4.001 -10.010   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       4.001  -6.930   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       1.334  -5.390   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   22                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   18                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   16                                                  
CONECT    8    7    9   11                                                  
CONECT    9    8   10                                                       
CONECT   10    9                                                            
CONECT   11    8   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14    7   17                                                  
CONECT   17   16                                                            
CONECT   18    5   19                                                       
CONECT   19   18   20   22                                                  
CONECT   20   19   21                                                       
CONECT   21   20                                                            
CONECT   22   19    3   23                                                  
CONECT   23   22   24                                                       
CONECT   24   23                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₅H₂₂O₉

Average Mass

346.3320 Da

Monoisotopic Mass

346.12638 Da

IUPAC Name

(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[4-(hydroxymethyl)-3,5-dimethoxyphenoxy]oxane-2,3,4-triol

Traditional Name

(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[4-(hydroxymethyl)-3,5-dimethoxyphenoxy]oxane-2,3,4-triol

CAS Registry Number

Not Available

SMILES

COC1=CC(O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)=CC(OC)=C1CO

InChI Identifier

InChI=1S/C15H22O9/c1-21-9-3-7(4-10(22-2)8(9)5-16)23-14-11(6-17)24-15(20)13(19)12(14)18/h3-4,11-20H,5-6H2,1-2H3/t11-,12-,13-,14-,15-/m1/s1

InChI Key

UNSACEOBUSYVIQ-KJWHEZOQSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Acer saccharum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Methoxybenzenes

Direct Parent

Dimethoxybenzenes

Alternative Parents

Substituents

M-dimethoxybenzene
Dimethoxybenzene
Phenoxy compound
Anisole
Benzyl alcohol
Phenol ether
Alkyl aryl ether
Monosaccharide
Oxane
Hemiacetal
Secondary alcohol
Oxacycle
Ether
Organoheterocyclic compound
Polyol
Hydrocarbon derivative
Organic oxygen compound
Alcohol
Aromatic alcohol
Organooxygen compound
Primary alcohol
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	-1.7	ChemAxon
pKa (Strongest Acidic)	11.3	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	138.07 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	79.93 m³·mol⁻¹	ChemAxon
Polarizability	33.64 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

162867482

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2r,3r,4r,5s,6r)-6-(hydroxymethyl)-5-[4-(hydroxymethyl)-3,5-dimethoxyphenoxy]oxane-2,3,4-triol (NP0306020)

MOL for NP0306020 ((2r,3r,4r,5s,6r)-6-(hydroxymethyl)-5-[4-(hydroxymethyl)-3,5-dimethoxyphenoxy]oxane-2,3,4-triol)

3D MOL for NP0306020 ((2r,3r,4r,5s,6r)-6-(hydroxymethyl)-5-[4-(hydroxymethyl)-3,5-dimethoxyphenoxy]oxane-2,3,4-triol)

3D SDF for NP0306020 ((2r,3r,4r,5s,6r)-6-(hydroxymethyl)-5-[4-(hydroxymethyl)-3,5-dimethoxyphenoxy]oxane-2,3,4-triol)

3D-SDF for NP0306020 ((2r,3r,4r,5s,6r)-6-(hydroxymethyl)-5-[4-(hydroxymethyl)-3,5-dimethoxyphenoxy]oxane-2,3,4-triol)

PDB for NP0306020 ((2r,3r,4r,5s,6r)-6-(hydroxymethyl)-5-[4-(hydroxymethyl)-3,5-dimethoxyphenoxy]oxane-2,3,4-triol)

3D PDB for NP0306020 ((2r,3r,4r,5s,6r)-6-(hydroxymethyl)-5-[4-(hydroxymethyl)-3,5-dimethoxyphenoxy]oxane-2,3,4-triol)

SMILES for NP0306020 ((2r,3r,4r,5s,6r)-6-(hydroxymethyl)-5-[4-(hydroxymethyl)-3,5-dimethoxyphenoxy]oxane-2,3,4-triol)

INCHI for NP0306020 ((2r,3r,4r,5s,6r)-6-(hydroxymethyl)-5-[4-(hydroxymethyl)-3,5-dimethoxyphenoxy]oxane-2,3,4-triol)

Structure for NP0306020 ((2r,3r,4r,5s,6r)-6-(hydroxymethyl)-5-[4-(hydroxymethyl)-3,5-dimethoxyphenoxy]oxane-2,3,4-triol)

3D Structure for NP0306020 ((2r,3r,4r,5s,6r)-6-(hydroxymethyl)-5-[4-(hydroxymethyl)-3,5-dimethoxyphenoxy]oxane-2,3,4-triol)