ChemSpider 2D Image | N-{[(1S,2R,4R,6S,8R)-2,6-Dihydroxy-2,8-dimethyl-4-phenylcyclodecyl]methyl}-4-(4,6-dimethyl-2-oxo-1(2H)-pyrimidinyl)butanamide | C29H43N3O4

N-{[(1S,2R,4R,6S,8R)-2,6-Dihydroxy-2,8-dimethyl-4-phenylcyclodecyl]methyl}-4-(4,6-dimethyl-2-oxo-1(2H)-pyrimidinyl)butanamide

  • Molecular FormulaC29H43N3O4
  • Average mass497.669 Da
  • Monoisotopic mass497.325348 Da
  • ChemSpider ID80817172

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1(2H)-Pyrimidinebutanamide, N-[[(1S,2R,4R,6S,8R)-2,6-dihydroxy-2,8-dimethyl-4-phenylcyclodecyl]methyl]-4,6-dimethyl-2-oxo- [ACD/Index Name]
N-{[(1S,2R,4R,6S,8R)-2,6-Dihydroxy-2,8-dimethyl-4-phenylcyclodecyl]methyl}-4-(4,6-dimethyl-2-oxo-1(2H)-pyrimidinyl)butanamid [German] [ACD/IUPAC Name]
N-{[(1S,2R,4R,6S,8R)-2,6-Dihydroxy-2,8-dimethyl-4-phenylcyclodecyl]methyl}-4-(4,6-dimethyl-2-oxo-1(2H)-pyrimidinyl)butanamide [ACD/IUPAC Name]
N-{[(1S,2R,4R,6S,8R)-2,6-Dihydroxy-2,8-diméthyl-4-phénylcyclodécyl]méthyl}-4-(4,6-diméthyl-2-oxo-1(2H)-pyrimidinyl)butanamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.583
Molar Refractivity: 141.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 162.75
ACD/KOC (pH 5.5): 1304.45
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 175.16
ACD/KOC (pH 7.4): 1403.94
Polar Surface Area: 102 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 43.6±7.0 dyne/cm
Molar Volume: 424.5±7.0 cm3

Click to predict properties on the Chemicalize site


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