NP-MRD: Showing NP-Card for 6-(1-{[2-aminoethoxy(hydroxy)phosphoryl]oxy}-2-hydroxyethyl)-2,4,5-trihydroxyoxane-2-carboxylic acid (NP0151275)

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Record Information

Version

2.0

Created at

2022-09-02 07:33:57 UTC

Updated at

2022-09-02 07:33:57 UTC

NP-MRD ID

NP0151275

Secondary Accession Numbers

None

Natural Product Identification

Common Name

6-(1-{[2-aminoethoxy(hydroxy)phosphoryl]oxy}-2-hydroxyethyl)-2,4,5-trihydroxyoxane-2-carboxylic acid

Description

6-(1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxyethyl)-2,4,5-trihydroxyoxane-2-carboxylic acid belongs to the class of organic compounds known as hexose phosphates. These are carbohydrate derivatives containing a hexose substituted by one or more phosphate groups. 6-(1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxyethyl)-2,4,5-trihydroxyoxane-2-carboxylic acid is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 43 43  0  0  0  0  0  0  0  0999 V2000
    5.8291    0.1049   -2.1330 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3968    0.3031   -0.8200 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3045    1.4128   -0.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2531    1.0683   -1.4323 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8578    0.5524   -0.9264 P   0  0  1  0  0  5  0  0  0  0  0  0
    0.9484    0.2089   -2.1403 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0778   -1.0946   -0.2565 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8529    1.2504    0.2048 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1533    0.1265    0.8466 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8838   -0.1271    2.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5278   -1.2763    2.8132 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2899    0.4662    0.8941 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7456    0.6474   -0.3941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1037    0.6932   -0.5907 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5304    2.0399   -0.4819 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4098    0.2833   -1.9760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6654    1.1667   -2.8544 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4242   -1.0512   -2.3714 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9552   -0.1317    0.3089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1846   -1.2013    0.9736 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6705   -2.1756    0.1269 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0634   -0.4724    1.7170 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7160    0.2443    2.7576 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1530   -0.4995   -2.6812 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9424    0.9848   -2.6587 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2212    0.4101   -0.0783 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8447   -0.6296   -0.4025 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1698    1.7659    0.3764 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8160    2.2914   -1.1564 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1904   -1.6844   -1.0508 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3446   -0.7306    0.0973 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9758   -0.1530    2.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6876    0.7393    2.8246 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7088   -2.0950    2.2274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3261    1.5057    1.3660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5030    1.9996   -0.8117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8564   -1.2893   -3.2745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8076   -0.6072   -0.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4666    0.4668    1.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8053   -1.7124    1.7299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7661   -1.9481   -0.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5159   -1.2657    2.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3340    1.1715    2.8300 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
  5  4  1  6
  5  7  1  0
  5  6  2  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  6
 14 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 14 16  1  0
 16 18  1  0
 16 17  2  0
 22 12  1  0
  1 24  1  0
  1 25  1  0
  2 26  1  0
  2 27  1  0
  3 28  1  0
  3 29  1  0
  7 30  1  0
  9 31  1  6
 10 32  1  0
 10 33  1  0
 11 34  1  0
 12 35  1  1
 15 36  1  0
 19 38  1  0
 19 39  1  0
 20 40  1  1
 21 41  1  0
 22 42  1  1
 23 43  1  0
 18 37  1  0
M  END


  Mrv1533004241501332D          

 23 23  0  0  0  0            999 V2000
   -2.8579   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -3.3000    0.0000 C   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
   -2.1434   -2.0625    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
   -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
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   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
    0.1842    1.8695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.7145   -0.4125    0.0000 C   0  0  0  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
    1.2448    1.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9626    2.6447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0572    1.7262    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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 12 19  1  0  0  0  0
 19 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0151275

> <DATABASE_NAME>
NP-MRD

> <SMILES>
NCCOP(O)(=O)OC(CO)C1OC(O)(CC(O)C1O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H20NO11P/c11-1-2-20-23(18,19)22-6(4-12)8-7(14)5(13)3-10(17,21-8)9(15)16/h5-8,12-14,17H,1-4,11H2,(H,15,16)(H,18,19)

> <INCHI_KEY>
ONDHTLCKQKAYRT-UHFFFAOYSA-N

> <FORMULA>
C10H20NO11P

> <MOLECULAR_WEIGHT>
361.24

> <EXACT_MASS>
361.077397466

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
30.87212385165453

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-(1-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxyethyl)-2,4,5-trihydroxyoxane-2-carboxylic acid

> <ALOGPS_LOGP>
-2.78

> <JCHEM_LOGP>
-4.50515995656334

> <ALOGPS_LOGS>
-1.07

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
2.7056424106181227

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7442335523368273

> <JCHEM_PKA_STRONGEST_BASIC>
9.96774336511341

> <JCHEM_POLAR_SURFACE_AREA>
209.22999999999996

> <JCHEM_REFRACTIVITY>
70.0226

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.07e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-(1-{[2-aminoethoxy(hydroxy)phosphoryl]oxy}-2-hydroxyethyl)-2,4,5-trihydroxyoxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-APR-15         0                                  
HETATM    1  N   UNK     0      -5.335  -7.700   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0      -5.335  -6.160   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.001  -5.390   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -4.001  -3.850   0.000  0.00  0.00           O+0
HETATM    5  P   UNK     0      -2.667  -3.080   0.000  0.00  0.00           P+0
HETATM    6  O   UNK     0      -1.897  -4.414   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      -3.437  -1.746   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      -1.334  -2.310   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -2.667   1.540   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       0.000   1.540   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       0.344   3.490   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       1.334  -0.770   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  C   UNK     0       2.324   3.490   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       1.797   4.937   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       3.840   3.222   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7    8                                             
CONECT    6    5                                                            
CONECT    7    5                                                            
CONECT    8    5    9                                                       
CONECT    9    8   10   12                                                  
CONECT   10    9   11                                                       
CONECT   11   10                                                            
CONECT   12    9   13   19                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   16   21                                             
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   12   20                                                  
CONECT   20   19                                                            
CONECT   21   14   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   46    0
END

View in JSmol

Synonyms

Value	Source
6-(1-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxyethyl)-2,4,5-trihydroxyoxane-2-carboxylate	Generator

Chemical Formula

C₁₀H₂₀NO₁₁P

Average Mass

361.2400 Da

Monoisotopic Mass

361.07740 Da

IUPAC Name

6-(1-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxyethyl)-2,4,5-trihydroxyoxane-2-carboxylic acid

Traditional Name

6-(1-{[2-aminoethoxy(hydroxy)phosphoryl]oxy}-2-hydroxyethyl)-2,4,5-trihydroxyoxane-2-carboxylic acid

CAS Registry Number

Not Available

SMILES

NCCOP(O)(=O)OC(CO)C1OC(O)(CC(O)C1O)C(O)=O

InChI Identifier

InChI=1S/C10H20NO11P/c11-1-2-20-23(18,19)22-6(4-12)8-7(14)5(13)3-10(17,21-8)9(15)16/h5-8,12-14,17H,1-4,11H2,(H,15,16)(H,18,19)

InChI Key

ONDHTLCKQKAYRT-UHFFFAOYSA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hexose phosphates. These are carbohydrate derivatives containing a hexose substituted by one or more phosphate groups.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Hexose phosphates

Alternative Parents

Substituents

Hexose phosphate
C-glucuronide
Glycosyl compound
C-glycosyl compound
Monosaccharide phosphate
Phosphoethanolamine
Dialkyl phosphate
Alkyl phosphate
Pyran
Alpha-hydroxy acid
Hydroxy acid
Organic phosphoric acid derivative
Phosphoric acid ester
Oxane
Amino acid or derivatives
Hemiacetal
Secondary alcohol
Amino acid
Carboxylic acid derivative
Carboxylic acid
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Polyol
Amine
Organic nitrogen compound
Alcohol
Carbonyl group
Hydrocarbon derivative
Primary amine
Primary alcohol
Primary aliphatic amine
Organopnictogen compound
Organic oxide
Organonitrogen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic 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	-2.8	ALOGPS
logP	-4.5	ChemAxon
logS	-1.1	ALOGPS
pKa (Strongest Acidic)	1.74	ChemAxon
pKa (Strongest Basic)	9.97	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	209.23 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	70.02 m³·mol⁻¹	ChemAxon
Polarizability	30.87 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

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DrugBank ID

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Phenol Explorer Compound ID

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FoodDB ID

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KNApSAcK ID

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Chemspider ID

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KEGG Compound ID

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BioCyc ID

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BiGG ID

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Wikipedia Link

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METLIN ID

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PubChem Compound

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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 6-(1-{[2-aminoethoxy(hydroxy)phosphoryl]oxy}-2-hydroxyethyl)-2,4,5-trihydroxyoxane-2-carboxylic acid (NP0151275)

MOL for NP0151275 (6-(1-{[2-aminoethoxy(hydroxy)phosphoryl]oxy}-2-hydroxyethyl)-2,4,5-trihydroxyoxane-2-carboxylic acid)

3D MOL for NP0151275 (6-(1-{[2-aminoethoxy(hydroxy)phosphoryl]oxy}-2-hydroxyethyl)-2,4,5-trihydroxyoxane-2-carboxylic acid)

3D SDF for NP0151275 (6-(1-{[2-aminoethoxy(hydroxy)phosphoryl]oxy}-2-hydroxyethyl)-2,4,5-trihydroxyoxane-2-carboxylic acid)

3D-SDF for NP0151275 (6-(1-{[2-aminoethoxy(hydroxy)phosphoryl]oxy}-2-hydroxyethyl)-2,4,5-trihydroxyoxane-2-carboxylic acid)

PDB for NP0151275 (6-(1-{[2-aminoethoxy(hydroxy)phosphoryl]oxy}-2-hydroxyethyl)-2,4,5-trihydroxyoxane-2-carboxylic acid)

3D PDB for NP0151275 (6-(1-{[2-aminoethoxy(hydroxy)phosphoryl]oxy}-2-hydroxyethyl)-2,4,5-trihydroxyoxane-2-carboxylic acid)

SMILES for NP0151275 (6-(1-{[2-aminoethoxy(hydroxy)phosphoryl]oxy}-2-hydroxyethyl)-2,4,5-trihydroxyoxane-2-carboxylic acid)

INCHI for NP0151275 (6-(1-{[2-aminoethoxy(hydroxy)phosphoryl]oxy}-2-hydroxyethyl)-2,4,5-trihydroxyoxane-2-carboxylic acid)

Structure for NP0151275 (6-(1-{[2-aminoethoxy(hydroxy)phosphoryl]oxy}-2-hydroxyethyl)-2,4,5-trihydroxyoxane-2-carboxylic acid)

3D Structure for NP0151275 (6-(1-{[2-aminoethoxy(hydroxy)phosphoryl]oxy}-2-hydroxyethyl)-2,4,5-trihydroxyoxane-2-carboxylic acid)