ChemSpider 2D Image | 9-{2-Deoxy-5-O-[({[(hydroxyphosphinato)oxy]phosphinato}oxy)phosphinato]pentofuranosyl}-9H-purin-6-amine | C10H13N5O12P3

9-{2-Deoxy-5-O-[({[(hydroxyphosphinato)oxy]phosphinato}oxy)phosphinato]pentofuranosyl}-9H-purin-6-amine

  • Molecular FormulaC10H13N5O12P3
  • Average mass488.159 Da
  • Monoisotopic mass487.979004 Da
  • ChemSpider ID24785457

  • Charge - Charge

More details:

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

9-{2-Deoxy-5-O-[({[(hydroxyphosphinato)oxy]phosphinato}oxy)phosphinato]pentofuranosyl}-9H-purin-6-amine [ACD/IUPAC Name]
9-{2-Desoxy-5-O-[({[(hydroxyphosphinato)oxy]phosphinato}oxy)phosphinato]pentofuranosyl}-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-{2-Désoxy-5-O-[({[(hydroxyphosphinato)oxy]phosphinato}oxy)phosphinato]pentofuranosyl}-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]pentofuranosyl]-, ion(3-) [ACD/Index Name]
2'-deoxyATP*2'-deoxyadenosine triphosphate*deoxy-ATP*deoxyadenosine-triphosphate*2'-deoxyadenosine-5'-triphosphate
dATP

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

Density:
Boiling Point: 913.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.1±3.0 kJ/mol
Flash Point: 506.1±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -4.93
ACD/LogD (pH 5.5): -10.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 297 Å2
Polarizability:
Surface Tension:
Molar Volume:

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