ChemSpider 2D Image | 2-Amino-9-{5-O-[{[hydroxy(phosphonooxy)phosphoryl]oxy}(sulfanyl)phosphoryl]pentofuranosyl}-1,9-dihydro-6H-purin-6-one | C10H16N5O13P3S

2-Amino-9-{5-O-[{[hydroxy(phosphonooxy)phosphoryl]oxy}(sulfanyl)phosphoryl]pentofuranosyl}-1,9-dihydro-6H-purin-6-one

  • Molecular FormulaC10H16N5O13P3S
  • Average mass539.246 Da
  • Monoisotopic mass538.967834 Da
  • ChemSpider ID13654062

More details:






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

2-Amino-9-{5-O-[{[hydroxy(phosphonooxy)phosphoryl]oxy}(sulfanyl)phosphoryl]pentofuranosyl}-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-{5-O-[{[hydroxy(phosphonooxy)phosphoryl]oxy}(sulfanyl)phosphoryl]pentofuranosyl}-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-{5-O-[{[hydroxy(phosphonooxy)phosphoryl]oxy}(sulfanyl)phosphoryl]pentofuranosyl}-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-amino-1,9-dihydro-9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinothioyl]pentofuranosyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.950
Molar Refractivity: 97.1±0.5 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.78
ACD/LogD (pH 5.5): -10.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 339 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 193.6±7.0 dyne/cm
Molar Volume: 201.0±7.0 cm3

Click to predict properties on the Chemicalize site






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