NP-MRD: Showing NP-Card for [(1r,2r,3s,4s,5r,6r)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxyphosphonic acid (NP0169012)

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Record Information

Version

2.0

Created at

2022-09-03 04:54:03 UTC

Updated at

2022-09-03 04:54:03 UTC

NP-MRD ID

NP0169012

Secondary Accession Numbers

None

Natural Product Identification

Common Name

[(1r,2r,3s,4s,5r,6r)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxyphosphonic acid

Description

ZINC3869995 belongs to the class of organic compounds known as inositol phosphates. Inositol phosphates are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety. [(1r,2r,3s,4s,5r,6r)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxyphosphonic acid is found in Arabidopsis thaliana. Based on a literature review very few articles have been published on ZINC3869995.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 39 39  0  0  0  0  0  0  0  0999 V2000
   -3.6230    0.6384    1.0836 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5117   -0.3224   -0.0892 P   0  0  0  0  0  5  0  0  0  0  0  0
   -4.1455   -1.8260    0.3858 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4499    0.2768   -1.3500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8900   -0.5350   -0.5522 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0156   -0.2872    0.4937 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2507   -1.5232    0.8974 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1480   -2.5373    1.1226 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8426   -1.8727   -0.0737 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3070   -2.2472   -1.2820 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7635   -0.6742   -0.1909 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8079   -0.8875   -1.0516 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3195   -0.6856   -0.3583 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.9956    0.4752   -1.0520 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2512   -0.3373    1.2858 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2475   -2.0635   -0.6724 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9327    0.4568   -0.7651 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2894   -0.0817   -1.9030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1162    0.8836    0.2085 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9022    1.8747   -0.3918 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8780    3.3065    0.5068 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.1240    3.1317    1.6295 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5116    4.6445   -0.4349 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4097    3.5614    1.2180 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6998   -1.6963    1.1935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3427   -0.1195   -1.2833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6419   -0.0060    1.3837 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2498   -1.2743    1.8723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0492   -3.3166    0.5243 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4162   -2.7135    0.3704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6647   -2.4037   -1.2606 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0815   -0.3989    0.8370 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4870   -1.1871    1.7696 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0034   -2.3538   -1.6063 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5526    1.2879   -1.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1547    0.6149   -2.4357 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3507    1.2530    1.1413 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0056    4.4127   -1.2496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6226    4.5326    1.2122 H   0  0  0  0  0  0  0  0  0  0  0  0
 10  9  1  0
  9  7  1  0
  7  8  1  0
  7  6  1  0
  6  5  1  0
  5  2  1  0
  2  3  1  0
  2  4  1  0
  2  1  2  0
  6 19  1  0
 19 20  1  0
 20 21  1  0
 21 23  1  0
 21 24  1  0
 21 22  2  0
 19 17  1  0
 17 18  1  0
 17 11  1  0
 11 12  1  0
 12 13  1  0
 13 15  1  0
 13 16  1  0
 13 14  2  0
 11  9  1  0
 10 31  1  0
  9 30  1  1
  7 28  1  1
  8 29  1  0
  6 27  1  1
  3 25  1  0
  4 26  1  0
 19 37  1  1
 23 38  1  0
 24 39  1  0
 17 35  1  6
 18 36  1  0
 11 32  1  1
 15 33  1  0
 16 34  1  0
M  END


  Mrv1652309032206542D          

 24 24  0  0  1  0            999 V2000
    2.1434    2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    3.1895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    1.7605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  1  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
    0.7145   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -0.9355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395    2.0625    0.0000 O   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
    0.1105    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0169012

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3-,4-,5+,6-/m1/s1

> <INCHI_KEY>
MMWCIQZXVOZEGG-SCCKRLBHSA-N

> <FORMULA>
C6H15O15P3

> <MOLECULAR_WEIGHT>
420.092

> <EXACT_MASS>
419.962380777

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
29.196154072647943

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(1R,2R,3S,4S,5R,6R)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphonic acid

> <ALOGPS_LOGP>
-0.86

> <JCHEM_LOGP>
-4.152707746

> <ALOGPS_LOGS>
-1.45

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-6

> <JCHEM_PKA>
1.0368235573274416

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.5363206524866495

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6688996734755257

> <JCHEM_POLAR_SURFACE_AREA>
260.96999999999997

> <JCHEM_REFRACTIVITY>
68.3937

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.48e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(1R,2R,3S,4S,5R,6R)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  O   UNK     0       4.001   5.390   0.000  0.00  0.00           O+0
HETATM    2  P   UNK     0       2.667   4.620   0.000  0.00  0.00           P+0
HETATM    3  O   UNK     0       1.897   5.954   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       3.437   3.286   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   13  P   UNK     0       2.667  -3.080   0.000  0.00  0.00           P+0
HETATM   14  O   UNK     0       4.001  -3.850   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       1.897  -4.414   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       3.437  -1.746   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   21  P   UNK     0      -1.334   3.850   0.000  0.00  0.00           P+0
HETATM   22  O   UNK     0      -2.874   3.850   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -1.334   5.390   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       0.206   3.850   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4    5                                             
CONECT    3    2                                                            
CONECT    4    2                                                            
CONECT    5    2    6                                                       
CONECT    6    5    7   19                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   17                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15   16                                             
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16   13                                                            
CONECT   17   11   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17    6   20                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   23   24                                             
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24   21                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   48    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₆H₁₅O₁₅P₃

Average Mass

420.0920 Da

Monoisotopic Mass

419.96238 Da

IUPAC Name

{[(1R,2R,3S,4S,5R,6R)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphonic acid

Traditional Name

[(1R,2R,3S,4S,5R,6R)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxyphosphonic acid

CAS Registry Number

Not Available

SMILES

O[C@@H]1[C@H](O)[C@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H](O)[C@@H]1OP(O)(O)=O

InChI Identifier

InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3-,4-,5+,6-/m1/s1

InChI Key

MMWCIQZXVOZEGG-SCCKRLBHSA-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
Arabidopsis thaliana	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as inositol phosphates. Inositol phosphates are compounds containing a phosphate group attached to an inositol (or cyclohexanehexol) moiety.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Alcohols and polyols

Direct Parent

Inositol phosphates

Alternative Parents

Substituents

Inositol phosphate
Monoalkyl phosphate
Cyclohexanol
Alkyl phosphate
Phosphoric acid ester
Organic phosphoric acid derivative
Secondary alcohol
Polyol
Organic oxide
Hydrocarbon derivative
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic 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	-0.86	ALOGPS
logP	-4.2	ChemAxon
logS	-1.4	ALOGPS
pKa (Strongest Acidic)	0.54	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-6	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	260.97 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	68.39 m³·mol⁻¹	ChemAxon
Polarizability	29.2 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	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

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PubChem Compound

34099686

PDB ID

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ChEBI ID

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Good Scents ID

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References

General References

LOTUS database [Link]

Showing NP-Card for [(1r,2r,3s,4s,5r,6r)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxyphosphonic acid (NP0169012)

MOL for NP0169012 ([(1r,2r,3s,4s,5r,6r)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxyphosphonic acid)

3D MOL for NP0169012 ([(1r,2r,3s,4s,5r,6r)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxyphosphonic acid)

3D SDF for NP0169012 ([(1r,2r,3s,4s,5r,6r)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxyphosphonic acid)

3D-SDF for NP0169012 ([(1r,2r,3s,4s,5r,6r)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxyphosphonic acid)

PDB for NP0169012 ([(1r,2r,3s,4s,5r,6r)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxyphosphonic acid)

3D PDB for NP0169012 ([(1r,2r,3s,4s,5r,6r)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxyphosphonic acid)

SMILES for NP0169012 ([(1r,2r,3s,4s,5r,6r)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxyphosphonic acid)

INCHI for NP0169012 ([(1r,2r,3s,4s,5r,6r)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxyphosphonic acid)

Structure for NP0169012 ([(1r,2r,3s,4s,5r,6r)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxyphosphonic acid)

3D Structure for NP0169012 ([(1r,2r,3s,4s,5r,6r)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxyphosphonic acid)