ChemSpider 2D Image | (3-Butyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl 1-methyl-2-oxo-3-pyrrolidinecarboxylate | C19H27N5O5

(3-Butyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl 1-methyl-2-oxo-3-pyrrolidinecarboxylate

  • Molecular FormulaC19H27N5O5
  • Average mass405.448 Da
  • Monoisotopic mass405.201233 Da
  • ChemSpider ID65094383

More details:

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

(3-Butyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl 1-methyl-2-oxo-3-pyrrolidinecarboxylate [ACD/IUPAC Name]
(3-Butyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl-1-methyl-2-oxo-3-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
1-Méthyl-2-oxo-3-pyrrolidinecarboxylate de (3-butyl-2,6-dioxo-7-propyl-2,3,6,7-tétrahydro-1H-purin-8-yl)méthyle [French] [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 1-methyl-2-oxo-, (3-butyl-2,3,6,7-tetrahydro-2,6-dioxo-7-propyl-1H-purin-8-yl)methyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.648
Molar Refractivity: 104.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.53
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 3.29
ACD/KOC (pH 5.5): 81.65
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 3.28
ACD/KOC (pH 7.4): 81.25
Polar Surface Area: 114 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 287.6±7.0 cm3

Click to predict properties on the Chemicalize site


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