ChemSpider 2D Image | 1-Hydroxycholesterol diacetate | C31H50O4

1-Hydroxycholesterol diacetate

  • Molecular FormulaC31H50O4
  • Average mass486.726 Da
  • Monoisotopic mass486.370911 Da
  • ChemSpider ID21229957

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1α,3β)-Cholest-5-en-1,3-diyl-diacetat [German] [ACD/IUPAC Name]
(1α,3β)-Cholest-5-ene-1,3-diyl diacetate [ACD/IUPAC Name]
1-Hydroxycholesterol diacetate
252-517-8 [EINECS]
35339-68-5 [RN]
Cholest-5-ene-1,3-diol, diacetate, (1α,3β)- [ACD/Index Name]
Diacétate de (1α,3β)-cholest-5-ène-1,3-diyle [French] [ACD/IUPAC 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: 536.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 254.4±28.5 °C
Index of Refraction: 1.517
Molar Refractivity: 140.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 9.90
ACD/LogD (pH 5.5): 8.73
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1331346.00
ACD/LogD (pH 7.4): 8.73
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1331346.00
Polar Surface Area: 53 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 39.5±5.0 dyne/cm
Molar Volume: 464.8±5.0 cm3

Click to predict properties on the Chemicalize site


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