ChemSpider 2D Image | N-(6-Oxo-6,7-dihydro-1H-purin-2-yl)alanine | C8H9N5O3

N-(6-Oxo-6,7-dihydro-1H-purin-2-yl)alanine

  • Molecular FormulaC8H9N5O3
  • Average mass223.189 Da
  • Monoisotopic mass223.070541 Da
  • ChemSpider ID26332488

More details:

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

Alanine, N-(6,9-dihydro-6-oxo-1H-purin-2-yl)- [ACD/Index Name]
N-(6-Oxo-6,7-dihydro-1H-purin-2-yl)alanin [German] [ACD/IUPAC Name]
N-(6-Oxo-6,7-dihydro-1H-purin-2-yl)alanine [ACD/IUPAC Name]
N-(6-Oxo-6,7-dihydro-1H-purin-2-yl)alanine [French] [ACD/IUPAC Name]
774156-67-1 [RN]
CEguanine
N(2)-(1-carboxyethyl)guanine
N(2)-carboxyethylguanine
  • Miscellaneous

    • Chemical Class:

      An alanine derivative consisting of alanine having a 6-oxo-6,9-dihydro-1<element>H</element>-purin-2-yl group attached to the amino function. ChEBI CHEBI:62032
      An alanine derivative consisting of alanine having a 6-oxo-6,9-dihydro-1H-purin-2-yl group attached to the amino function. ChEBI CHEBI:62032

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.824
Molar Refractivity: 52.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.86
ACD/LogD (pH 5.5): -2.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 119 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 85.7±7.0 dyne/cm
Molar Volume: 118.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement