ChemSpider 2D Image | 2-Ammonio-3-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl)propanoate | C11H16N5O4

2-Ammonio-3-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl)propanoate

  • Molecular FormulaC11H16N5O4
  • Average mass282.275 Da
  • Monoisotopic mass282.119690 Da
  • ChemSpider ID21214311

  • Charge - Charge

More details:

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

1H-Purinium, 8-(2-ammonio-2-carboxyethyl)-2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-, inner salt [ACD/Index Name]
2-Ammonio-3-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl)propanoat [German] [ACD/IUPAC Name]
2-Ammonio-3-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl)propanoate [ACD/IUPAC Name]
2-Ammonio-3-(1,3,7-triméthyl-2,6-dioxo-2,3,6,7-tétrahydro-1H-purin-9-ium-8-yl)propanoate [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 567.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 297.0±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.21
ACD/LogD (pH 5.5): -3.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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