ChemSpider 2D Image | (3beta,8alpha,9beta,17alpha)-Cholest-5-en-3-yl 2-chlorobenzoate | C34H49ClO2

(3β,8α,9β,17α)-Cholest-5-en-3-yl 2-chlorobenzoate

  • Molecular FormulaC34H49ClO2
  • Average mass525.205 Da
  • Monoisotopic mass524.342102 Da
  • ChemSpider ID10060005

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,8α,9β,17α)-Cholest-5-en-3-yl 2-chlorobenzoate [ACD/IUPAC Name]
(3β,8α,9β,17α)-Cholest-5-en-3-yl-2-chlorbenzoat [German] [ACD/IUPAC Name]
2-Chlorobenzoate de (3β,8α,9β,17α)-cholest-5-én-3-yle [French] [ACD/IUPAC Name]
Benzoic acid, 2-chloro-, (3β,8α,9β,17α)-cholest-5-en-3-yl ester [ACD/Index Name]

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

ZINC04256628 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 583.9±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 301.4±20.8 °C
Index of Refraction: 1.554
Molar Refractivity: 154.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 12.97
ACD/LogD (pH 5.5): 11.03
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.03
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 42.6±5.0 dyne/cm
Molar Volume: 482.3±5.0 cm3

Click to predict properties on the Chemicalize site


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