ChemSpider 2D Image | (2S)-2-Amino-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butanoic acid | C9H12N6O3

(2S)-2-Amino-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butanoic acid

  • Molecular FormulaC9H12N6O3
  • Average mass252.230 Da
  • Monoisotopic mass252.097092 Da
  • ChemSpider ID25056723
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-2-Amino-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butanoic acid [ACD/IUPAC Name]
(2S)-2-Amino-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butansäure [German] [ACD/IUPAC Name]
9H-Purine-9-butanoic acid, α,2-diamino-1,6-dihydro-6-oxo-, (αS)- [ACD/Index Name]
Acide (2S)-2-amino-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butanoïque [French] [ACD/IUPAC Name]
?-(9-guaninyl)homoalanine

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.849
Molar Refractivity: 58.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.90
ACD/LogD (pH 5.5): -3.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 103.1±7.0 dyne/cm
Molar Volume: 130.9±7.0 cm3

Click to predict properties on the Chemicalize site






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