ChemSpider 2D Image | (2S,3alpha)-(2-~2~H_1_)Cholest-5-en-3-yl acetate | C29H47DO2

(2S,3α)-(2-2H1)Cholest-5-en-3-yl acetate

  • Molecular FormulaC29H47DO2
  • Average mass429.696 Da
  • Monoisotopic mass429.371704 Da
  • ChemSpider ID8797871

  • defined stereocentres - 8 of 8 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S,3α)-(2-2H1)Cholest-5-en-3-yl acetate [ACD/IUPAC Name]
(2S,3α)-(2-2H1)Cholest-5-en-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (2S,3α)-(2-2H1)cholest-5-én-3-yle [French] [ACD/IUPAC Name]
Cholest-5-en-2-d-3-ol, acetate, (2S,3α)- [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: 493.3±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 248.8±10.4 °C
Index of Refraction: 1.516
Molar Refractivity: 129.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 10.70
ACD/LogD (pH 5.5): 9.17
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2316281.75
ACD/LogD (pH 7.4): 9.17
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2316281.75
Polar Surface Area: 26 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 37.4±5.0 dyne/cm
Molar Volume: 429.3±5.0 cm3

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