ChemSpider 2D Image | 2-Ammonio-9-{[(1,3-dihydroxy-2-propanyl)oxy]methyl}-9H-purin-7-ium-6-olate | C9H14N5O4

2-Ammonio-9-{[(1,3-dihydroxy-2-propanyl)oxy]methyl}-9H-purin-7-ium-6-olate

  • Molecular FormulaC9H14N5O4
  • Average mass256.238 Da
  • Monoisotopic mass256.104034 Da
  • ChemSpider ID21239942
  • Charge - Charge


More details:






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

1,3-Propanediol, 2-[(2,3-dihydro-6-hydroxy-2-imino-9H-purin-9-yl)methoxy]-, inner salt, conjugate acid [ACD/Index Name]
2-Ammonio-9-{[(1,3-dihydroxy-2-propanyl)oxy]methyl}-9H-purin-7-ium-6-olat [German] [ACD/IUPAC Name]
2-Ammonio-9-{[(1,3-dihydroxy-2-propanyl)oxy]methyl}-9H-purin-7-ium-6-olate [ACD/IUPAC Name]
2-Ammonio-9-{[(1,3-dihydroxy-2-propanyl)oxy]méthyl}-9H-purin-7-ium-6-olate [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 657.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 351.1±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -3.62
ACD/LogD (pH 5.5): -4.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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