ChemSpider 2D Image | 3-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-L-alanine | C8H10N6O3

3-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-L-alanine

  • Molecular FormulaC8H10N6O3
  • Average mass238.203 Da
  • Monoisotopic mass238.081436 Da
  • ChemSpider ID29322242
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

3-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-L-alanin [German] [ACD/IUPAC Name]
3-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-L-alanine [ACD/IUPAC Name]
3-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-L-alanine [French] [ACD/IUPAC Name]
L-Alanine, 3-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)- [ACD/Index Name]
??-(guanin-9-yl)-l-alanine
β-(9-guaninyl)alanine

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.910
Molar Refractivity: 53.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.80
ACD/LogD (pH 5.5): -3.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 118.1±7.0 dyne/cm
Molar Volume: 114.8±7.0 cm3

Click to predict properties on the Chemicalize site






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