ChemSpider 2D Image | (3beta,9xi)-Cholest-5-en-3-yl 2,4-dichlorobenzoate | C34H48Cl2O2

(3β,9ξ)-Cholest-5-en-3-yl 2,4-dichlorobenzoate

  • Molecular FormulaC34H48Cl2O2
  • Average mass559.650 Da
  • Monoisotopic mass558.303162 Da
  • ChemSpider ID105445

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(3β,9ξ)-Cholest-5-en-3-yl 2,4-dichlorobenzoate [ACD/IUPAC Name]
(3β,9ξ)-Cholest-5-en-3-yl-2,4-dichlorbenzoat [German] [ACD/IUPAC Name]
2,4-Dichlorobenzoate de (3β,9ξ)-cholest-5-én-3-yle [French] [ACD/IUPAC Name]
Benzoic acid, 2,4-dichloro-, (3β,9ξ)-cholest-5-en-3-yl ester [ACD/Index Name]
[(3S,8S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,4-dichlorobenzoate
32832-01-2 [RN]
Cholest-5-en-3-ol (3β)-, 2,4-dichlorobenzoate
Cholest-5-en-3β-yl 2,4-dichlorobenzoate
CID 118002

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

Density: 1.1±0.1 g/cm3
Boiling Point: 600.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 153.7±27.7 °C
Index of Refraction: 1.559
Molar Refractivity: 159.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 13.54
ACD/LogD (pH 5.5): 11.57
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.57
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 44.0±5.0 dyne/cm
Molar Volume: 493.1±5.0 cm3

Click to predict properties on the Chemicalize site


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