ChemSpider 2D Image | 2-Methyl-2-propanyl 4-(4-{[3-(6-amino-2-butoxy-8-oxo-7,8-dihydro-9H-purin-9-yl)propyl][3-(2-methoxy-2-oxoethyl)benzyl]amino}-1-piperidinyl)butanoate | C35H53N7O6

2-Methyl-2-propanyl 4-(4-{[3-(6-amino-2-butoxy-8-oxo-7,8-dihydro-9H-purin-9-yl)propyl][3-(2-methoxy-2-oxoethyl)benzyl]amino}-1-piperidinyl)butanoate

  • Molecular FormulaC35H53N7O6
  • Average mass667.839 Da
  • Monoisotopic mass667.405762 Da
  • ChemSpider ID17623479

More details:

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

1-Piperidinebutanoic acid, 4-[[3-(6-amino-2-butoxy-7,8-dihydro-8-oxo-9H-purin-9-yl)propyl][[3-(2-methoxy-2-oxoethyl)phenyl]methyl]amino]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(4-{[3-(6-amino-2-butoxy-8-oxo-7,8-dihydro-9H-purin-9-yl)propyl][3-(2-methoxy-2-oxoethyl)benzyl]amino}-1-piperidinyl)butanoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(4-{[3-(6-amino-2-butoxy-8-oxo-7,8-dihydro-9H-purin-9-yl)propyl][3-(2-methoxy-2-oxoethyl)benzyl]amino}-1-piperidinyl)butanoat [German] [ACD/IUPAC Name]
4-(4-{[3-(6-Amino-2-butoxy-8-oxo-7,8-dihydro-9H-purin-9-yl)propyl][3-(2-méthoxy-2-oxoéthyl)benzyl]amino}-1-pipéridinyl)butanoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.593
Molar Refractivity: 183.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 2.28
ACD/KOC (pH 5.5): 8.03
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 84.06
ACD/KOC (pH 7.4): 295.76
Polar Surface Area: 152 Å2
Polarizability: 72.6±0.5 10-24cm3
Surface Tension: 61.2±5.0 dyne/cm
Molar Volume: 540.5±5.0 cm3

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