ChemSpider 2D Image | (3alpha,4R,6beta)-(4-~2~H_1_)-3,5-Cyclocholestan-6-ol | C27H45DO

(3α,4R,6β)-(4-2H1)-3,5-Cyclocholestan-6-ol

  • Molecular FormulaC27H45DO
  • Average mass387.660 Da
  • Monoisotopic mass387.361145 Da
  • ChemSpider ID8184684

  • defined stereocentres - 8 of 10 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3α,4R,6β)-(4-2H1)-3,5-Cyclocholestan-6-ol [ACD/IUPAC Name]
(3α,4R,6β)-(4-2H1)-3,5-Cyclocholestan-6-ol [German] [ACD/IUPAC Name]
(3α,4R,6β)-(4-2H1)-3,5-Cyclocholestan-6-ol [French] [ACD/IUPAC Name]
3,5-Cyclocholestan-4-d-6-ol, (3α,4R,6β)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 473.0±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 84.9±6.0 kJ/mol
Flash Point: 205.9±12.4 °C
Index of Refraction: 1.534
Molar Refractivity: 118.2±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 9.47
ACD/LogD (pH 5.5): 8.65
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1202788.38
ACD/LogD (pH 7.4): 8.65
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1202788.38
Polar Surface Area: 20 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 39.5±5.0 dyne/cm
Molar Volume: 380.5±5.0 cm3

Click to predict properties on the Chemicalize site


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