ChemSpider 2D Image | 2-Amino-9-{5-O-[({[(dioxidophosphorothioyl)oxy]phosphinato}oxy)phosphinato]pentofuranosyl}-3,9-dihydro-6H-purin-6-one | C10H12N5O13P3S

2-Amino-9-{5-O-[({[(dioxidophosphorothioyl)oxy]phosphinato}oxy)phosphinato]pentofuranosyl}-3,9-dihydro-6H-purin-6-one

  • Molecular FormulaC10H12N5O13P3S
  • Average mass535.216 Da
  • Monoisotopic mass534.938721 Da
  • ChemSpider ID4331953

  • Charge - Charge

More details:

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

2-Amino-9-{5-O-[({[(dioxidophosphorothioyl)oxy]phosphinato}oxy)phosphinato]pentofuranosyl}-3,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-{5-O-[({[(dioxidophosphorothioyl)oxy]phosphinato}oxy)phosphinato]pentofuranosyl}-3,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-{5-O-[({[(dioxydophosphorothioyl)oxy]phosphinato}oxy)phosphinato]pentofuranosyl}-3,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-amino-3,9-dihydro-9-[5-O-[hydroxy[[hydroxy[(hydroxymercaptophosphinyl)oxy]phosphinyl]oxy]phosphinyl]pentofuranosyl]-, ion(4-) [ACD/Index Name]

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

Density:
Boiling Point: 1014.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 155.1±3.0 kJ/mol
Flash Point: 567.1±37.1 °C
Index of Refraction:
Molar Refractivity:
#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): -10.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 351 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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