ChemSpider 2D Image | PHOSPHOAMINOPHOSPHONIC ACID GUANYLATE ESTER | C10H17N6O13P3

PHOSPHOAMINOPHOSPHONIC ACID GUANYLATE ESTER

  • Molecular FormulaC10H17N6O13P3
  • Average mass522.196 Da
  • Monoisotopic mass522.006653 Da
  • ChemSpider ID26329641

  • 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{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-α-L-arabinofuranosyl}-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-α-L-arabinofuranosyl}-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonoamino)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-[(R)-hydroxy[[(R)-hydroxy(phosphonoamino)phosphinyl]oxy]phosphinyl]-α-L-arabinofuranosyl]- [ACD/Index Name]
PHOSPHOAMINOPHOSPHONIC 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}amino)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)aminophosphonic acid

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

Density: 2.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.975
Molar Refractivity: 92.3±0.5 cm3
#H bond acceptors: 19
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -5.01
ACD/LogD (pH 5.5): -11.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 327 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 224.8±7.0 dyne/cm
Molar Volume: 187.9±7.0 cm3

Click to predict properties on the Chemicalize site


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