ChemSpider 2D Image | Cholestane-3,6-diol, (3b,5b,6b)- (9CI) | C27H48O2

Cholestane-3,6-diol, (3b,5b,6b)- (9CI)

  • Molecular FormulaC27H48O2
  • Average mass404.669 Da
  • Monoisotopic mass404.365417 Da
  • ChemSpider ID29367488

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,5β,6β)-Cholestan-3,6-diol [German] [ACD/IUPAC Name]
(3β,5β,6β)-Cholestane-3,6-diol [ACD/IUPAC Name]
(3β,5β,6β)-Cholestane-3,6-diol [French] [ACD/IUPAC Name]
570-86-5 [RN]
Cholestane-3,6-diol, (3b,5b,6b)- (9CI)
Cholestane-3,6-diol, (3β,5β,6β)- [ACD/Index Name]
(3S,5R,6R,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-((R)-6-methylheptan-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol
5-β-CHOLESTAN-3-β,6-β-DIOL

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

Density: 1.0±0.1 g/cm3
Boiling Point: 503.4±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 89.0±6.0 kJ/mol
Flash Point: 207.4±20.0 °C
Index of Refraction: 1.517
Molar Refractivity: 121.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.52
ACD/LogD (pH 5.5): 6.53
ACD/BCF (pH 5.5): 53958.51
ACD/KOC (pH 5.5): 84877.02
ACD/LogD (pH 7.4): 6.53
ACD/BCF (pH 7.4): 53958.51
ACD/KOC (pH 7.4): 84877.02
Polar Surface Area: 40 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 403.1±3.0 cm3

Click to predict properties on the Chemicalize site


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