ChemSpider 2D Image | 1-Amino-1-oxo-2-propanyl 4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)butanoate | C14H19N5O5

1-Amino-1-oxo-2-propanyl 4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)butanoate

  • Molecular FormulaC14H19N5O5
  • Average mass337.331 Da
  • Monoisotopic mass337.138611 Da
  • ChemSpider ID21968003

More details:

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

1-Amino-1-oxo-2-propanyl 4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)butanoate [ACD/IUPAC Name]
1-Amino-1-oxo-2-propanyl-4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)butanoat [German] [ACD/IUPAC Name]
4-(1,3-Diméthyl-2,6-dioxo-1,2,3,6-tétrahydro-7H-purin-7-yl)butanoate de 1-amino-1-oxo-2-propanyle [French] [ACD/IUPAC Name]
7H-Purine-7-butanoic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, 2-amino-1-methyl-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 638.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 339.7±34.3 °C
Index of Refraction: 1.649
Molar Refractivity: 83.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.75
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.76
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.76
Polar Surface Area: 128 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 59.9±7.0 dyne/cm
Molar Volume: 227.8±7.0 cm3

Click to predict properties on the Chemicalize site


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