ChemSpider 2D Image | 2-Ammonio-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6-oxo-6,9-dihydro-1H-purin-7-ium | C12H17N5O3

2-Ammonio-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6-oxo-6,9-dihydro-1H-purin-7-ium

  • Molecular FormulaC12H17N5O3
  • Average mass279.294 Da
  • Monoisotopic mass279.132050 Da
  • ChemSpider ID21239787

  • Charge - Charge

More details:

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

2-Ammonio-9-[4-hydroxy-3-(hydroxymethyl)-2-methylencyclopentyl]-6-oxo-6,9-dihydro-1H-purin-7-ium [German] [ACD/IUPAC Name]
2-Ammonio-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6-oxo-6,9-dihydro-1H-purin-7-ium [ACD/IUPAC Name]
2-Ammonio-9-[4-hydroxy-3-(hydroxyméthyl)-2-méthylènecyclopentyl]-6-oxo-6,9-dihydro-1H-purin-7-ium [French] [ACD/IUPAC Name]
2H-Purin-6-ol, 3,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-2-imino-, conjugate diacid [ACD/Index Name]

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

Density:
Boiling Point: 645.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 344.4±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -2.51
ACD/LogD (pH 5.5): -4.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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