ChemSpider 2D Image | 2-Amino-9-{5-O-[(phosphonooxy)(sulfanyl)phosphoryl]pentofuranosyl}-1,9-dihydro-6H-purin-6-one | C10H15N5O10P2S

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

  • Molecular FormulaC10H15N5O10P2S
  • Average mass459.266 Da
  • Monoisotopic mass459.001495 Da
  • ChemSpider ID23354889

More details:

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

2-Amino-9-{5-O-[(phosphonooxy)(sulfanyl)phosphoryl]pentofuranosyl}-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-{5-O-[(phosphonooxy)(sulfanyl)phosphoryl]pentofuranosyl}-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-{5-O-[(phosphonooxy)(sulfanyl)phosphoryl]pentofuranosyl}-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
2-Amino-9-{5-O-[hydroxy(phosphonooxy)phosphorothioyl]pentofuranosyl}-3,9-dihydro-6H-purin-6-one
6H-Purin-6-one, 2-amino-3,9-dihydro-9-[5-O-[hydroxy(phosphonooxy)phosphinothioyl]pentofuranosyl]- [ACD/Index Name]
GDP[S]

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

Density: 2.6±0.1 g/cm3
Boiling Point: 945.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.1±3.0 kJ/mol
Flash Point: 525.3±37.1 °C
Index of Refraction: 1.956
Molar Refractivity: 87.2±0.5 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.51
ACD/LogD (pH 5.5): -7.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 283 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 168.2±7.0 dyne/cm
Molar Volume: 179.7±7.0 cm3

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