ChemSpider 2D Image | (3beta,5alpha,6beta,20R)-3,5,18-Trihydroxycholestan-6-yl acetate | C29H50O5

(3β,5α,6β,20R)-3,5,18-Trihydroxycholestan-6-yl acetate

  • Molecular FormulaC29H50O5
  • Average mass478.704 Da
  • Monoisotopic mass478.365814 Da
  • ChemSpider ID34981455

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,5α,6β,20R)-3,5,18-Trihydroxycholestan-6-yl acetate [ACD/IUPAC Name]
(3β,5α,6β,20R)-3,5,18-Trihydroxycholestan-6-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,5α,6β,20R)-3,5,18-trihydroxycholestan-6-yle [French] [ACD/IUPAC Name]
Cholestane-3,5,6,18-tetrol, 6-acetate, (3β,5α,6β,20R)- [ACD/Index Name]
punicinol B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 571.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.4±6.0 kJ/mol
Flash Point: 176.1±20.8 °C
Index of Refraction: 1.540
Molar Refractivity: 134.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.79
ACD/LogD (pH 5.5): 4.94
ACD/BCF (pH 5.5): 3361.46
ACD/KOC (pH 5.5): 11638.12
ACD/LogD (pH 7.4): 4.94
ACD/BCF (pH 7.4): 3361.45
ACD/KOC (pH 7.4): 11638.12
Polar Surface Area: 87 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 428.9±5.0 cm3

Click to predict properties on the Chemicalize site


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