ChemSpider 2D Image | 2-Ammonio-9-[2,3-bis(hydroxymethyl)cyclobutyl]-6-oxo-6,9-dihydro-1H-purin-7-ium | C11H17N5O3

2-Ammonio-9-[2,3-bis(hydroxymethyl)cyclobutyl]-6-oxo-6,9-dihydro-1H-purin-7-ium

  • Molecular FormulaC11H17N5O3
  • Average mass267.283 Da
  • Monoisotopic mass267.132050 Da
  • ChemSpider ID21240072

  • Charge - Charge

More details:

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

1,2-Cyclobutanedimethanol, 3-(2,3-dihydro-6-hydroxy-2-imino-9H-purin-9-yl)-, conjugate diacid [ACD/Index Name]
2-Ammonio-9-[2,3-bis(hydroxymethyl)cyclobutyl]-6-oxo-6,9-dihydro-1H-purin-7-ium [ACD/IUPAC Name]
2-Ammonio-9-[2,3-bis(hydroxymethyl)cyclobutyl]-6-oxo-6,9-dihydro-1H-purin-7-ium [German] [ACD/IUPAC Name]
2-Ammonio-9-[2,3-bis(hydroxyméthyl)cyclobutyl]-6-oxo-6,9-dihydro-1H-purin-7-ium [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 635.5±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 338.1±29.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -2.79
ACD/LogD (pH 5.5): -4.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.10
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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