ChemSpider 2D Image | PHOSPHOMETHYLPHOSPHONIC ACID GUANOSYL ESTER | C11H17N5O10P2

PHOSPHOMETHYLPHOSPHONIC ACID GUANOSYL ESTER

  • Molecular FormulaC11H17N5O10P2
  • Average mass441.228 Da
  • Monoisotopic mass441.045074 Da
  • ChemSpider ID26330023

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Amino-9-{5-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-α-L-arabinofuranosyl}-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-{5-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-α-L-arabinofuranosyl}-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-{5-O-[(R)-hydroxy(phosphonométhyl)phosphoryl]-α-L-arabinofuranosyl}-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-amino-1,9-dihydro-9-[5-O-[(R)-hydroxy[(1R)-phosphonomethyl]phosphinyl]-α-L-arabinofuranosyl]- [ACD/Index Name]
PHOSPHOMETHYLPHOSPHONIC ACID GUANOSYL ESTER
[({[(2S,3R,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)methyl]phosphonic acid
{[(2S,3R,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}methylphosphonic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.918
Molar Refractivity: 83.9±0.5 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -3.81
ACD/LogD (pH 5.5): -8.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 259 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 171.2±7.0 dyne/cm
Molar Volume: 177.9±7.0 cm3

Click to predict properties on the Chemicalize site


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