ChemSpider 2D Image | (2S)-2-Cyclopentyl-2-{4-[(1,3-dimethyl-2,6-dioxo-8-phenyl-1,2,3,4,5,6-hexahydro-7H-purin-7-yl)methyl]phenyl}-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide | C35H39N5O4

(2S)-2-Cyclopentyl-2-{4-[(1,3-dimethyl-2,6-dioxo-8-phenyl-1,2,3,4,5,6-hexahydro-7H-purin-7-yl)methyl]phenyl}-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide

  • Molecular FormulaC35H39N5O4
  • Average mass593.715 Da
  • Monoisotopic mass593.300232 Da
  • ChemSpider ID8027211

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(2S)-2-Cyclopentyl-2-{4-[(1,3-dimethyl-2,6-dioxo-8-phenyl-1,2,3,4,5,6-hexahydro-7H-purin-7-yl)methyl]phenyl}-N-[(1R)-2-hydroxy-1-phenylethyl]acetamid [German] [ACD/IUPAC Name]
(2S)-2-Cyclopentyl-2-{4-[(1,3-dimethyl-2,6-dioxo-8-phenyl-1,2,3,4,5,6-hexahydro-7H-purin-7-yl)methyl]phenyl}-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide [ACD/IUPAC Name]
(2S)-2-Cyclopentyl-2-{4-[(1,3-diméthyl-2,6-dioxo-8-phényl-1,2,3,4,5,6-hexahydro-7H-purin-7-yl)méthyl]phényl}-N-[(1R)-2-hydroxy-1-phényléthyl]acétamide [French] [ACD/IUPAC Name]
Benzeneacetamide, α-cyclopentyl-4-[(1,2,3,4,5,6-hexahydro-1,3-dimethyl-2,6-dioxo-8-phenyl-7H-purin-7-yl)methyl]-N-[(1R)-2-hydroxy-1-phenylethyl]-, (αS)- [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: 1.672
Molar Refractivity: 169.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 2.28
ACD/KOC (pH 5.5): 17.52
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 20.42
ACD/KOC (pH 7.4): 157.14
Polar Surface Area: 106 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 53.7±7.0 dyne/cm
Molar Volume: 453.0±7.0 cm3

Click to predict properties on the Chemicalize site


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