ChemSpider 2D Image | 2-Ammonio-6-oxo-9-{5-O-[(phosphonatooxy)phosphinato]pentofuranosyl}-6,9-dihydro-1H-purin-7-ium | C10H14N5O11P2

2-Ammonio-6-oxo-9-{5-O-[(phosphonatooxy)phosphinato]pentofuranosyl}-6,9-dihydro-1H-purin-7-ium

  • Molecular FormulaC10H14N5O11P2
  • Average mass442.193 Da
  • Monoisotopic mass442.017059 Da
  • ChemSpider ID21239149
  • Charge - Charge


More details:






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

2-Ammonio-6-oxo-9-{5-O-[(phosphonatooxy)phosphinato]pentofuranosyl}-6,9-dihydro-1H-purin-7-ium [ACD/IUPAC Name]
2-Ammonio-6-oxo-9-{5-O-[(phosphonatooxy)phosphinato]pentofuranosyl}-6,9-dihydro-1H-purin-7-ium [German] [ACD/IUPAC Name]
2-Ammonio-6-oxo-9-{5-O-[(phosphonatooxy)phosphinato]pentofuranosyl}-6,9-dihydro-1H-purin-7-ium [French] [ACD/IUPAC Name]
2H-Purin-6-ol, 3,9-dihydro-9-[5-O-[hydroxy(phosphonooxy)phosphinyl]pentofuranosyl]-2-imino-, bis(inner salt), ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 944.9±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:
Molar Refractivity:
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -4.66
ACD/LogD (pH 5.5): -9.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 280 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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