ChemSpider 2D Image | (3-Butyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl 1-(2,2-dimethylpropanoyl)-4-piperidinecarboxylate | C22H33N5O5

(3-Butyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl 1-(2,2-dimethylpropanoyl)-4-piperidinecarboxylate

  • Molecular FormulaC22H33N5O5
  • Average mass447.528 Da
  • Monoisotopic mass447.248169 Da
  • ChemSpider ID30571755

More details:

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

(3-Butyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl 1-(2,2-dimethylpropanoyl)-4-piperidinecarboxylate [ACD/IUPAC Name]
(3-Butyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl-1-(2,2-dimethylpropanoyl)-4-piperidincarboxylat [German] [ACD/IUPAC Name]
1-(2,2-Diméthylpropanoyl)-4-pipéridinecarboxylate de (3-butyl-7-méthyl-2,6-dioxo-2,3,6,7-tétrahydro-1H-purin-8-yl)méthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-(2,2-dimethyl-1-oxopropyl)-, (3-butyl-2,3,6,7-tetrahydro-7-methyl-2,6-dioxo-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: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.617
Molar Refractivity: 118.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.27
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 8.41
ACD/KOC (pH 5.5): 159.79
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 8.37
ACD/KOC (pH 7.4): 158.99
Polar Surface Area: 114 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 339.3±7.0 cm3

Click to predict properties on the Chemicalize site


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