ChemSpider 2D Image | 2-Ammonio-9-[(2-hydroxyethoxy)methyl]-9H-purin-7-ium-6-olate | C8H12N5O3

2-Ammonio-9-[(2-hydroxyethoxy)methyl]-9H-purin-7-ium-6-olate

  • Molecular FormulaC8H12N5O3
  • Average mass226.212 Da
  • Monoisotopic mass226.093460 Da
  • ChemSpider ID21234766
  • Charge - Charge


More details:






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

2-Ammonio-9-[(2-hydroxyethoxy)methyl]-9H-purin-7-ium-6-olat [German] [ACD/IUPAC Name]
2-Ammonio-9-[(2-hydroxyethoxy)methyl]-9H-purin-7-ium-6-olate [ACD/IUPAC Name]
2-Ammonio-9-[(2-hydroxyéthoxy)méthyl]-9H-purin-7-ium-6-olate [French] [ACD/IUPAC Name]
2H-Purin-6-ol, 3,9-dihydro-9-[(2-hydroxyethoxy)methyl]-2-imino-, inner salt, conjugate acid [ACD/Index Name]

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

Density:
Boiling Point: 576.5±58.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 302.4±32.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -3.31
ACD/LogD (pH 5.5): -4.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability:
Surface Tension:
Molar Volume:

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