ChemSpider 2D Image | phosphomethylphosphonic acid-guanylate ester | C11H18N5O13P3

phosphomethylphosphonic acid-guanylate ester

  • Molecular FormulaC11H18N5O13P3
  • Average mass521.208 Da
  • Monoisotopic mass521.011414 Da
  • ChemSpider ID26330095

  • 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-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]-α-L-arabinofuranosyl}-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]-α-L-arabinofuranosyl}-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonométhyl)phosphoryl]oxy}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-[(S)-hydroxy[[(R)-hydroxy[(1R)-phosphonomethyl]phosphinyl]oxy]phosphinyl]-α-L-arabinofuranosyl]- [ACD/Index Name]
phosphomethylphosphonic acid-guanylate 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)oxy](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}oxy(hydroxy)phosphoryl)methylphosphonic acid

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

Density: 2.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.917
Molar Refractivity: 93.9±0.5 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -5.08
ACD/LogD (pH 5.5): -11.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 315 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 196.8±7.0 dyne/cm
Molar Volume: 199.2±7.0 cm3

Click to predict properties on the Chemicalize site


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