ChemSpider 2D Image | (3beta)-Cholest-5-en-3-yl salicylate | C34H50O3

(3β)-Cholest-5-en-3-yl salicylate

  • Molecular FormulaC34H50O3
  • Average mass506.759 Da
  • Monoisotopic mass506.376007 Da
  • ChemSpider ID29317423

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β)-Cholest-5-en-3-yl salicylate [ACD/IUPAC Name]
(3β)-Cholest-5-en-3-ylsalicylat [German] [ACD/IUPAC Name]
Benzoic acid, 2-hydroxy-, (3β)-cholest-5-en-3-yl ester [ACD/Index Name]
Salicylate de (3β)-cholest-5-én-3-yle [French] [ACD/IUPAC Name]
(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 2-hydroxybenzoate
7461-18-9 [RN]
cholesteryl salicylate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 578.5±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 210.6±18.2 °C
Index of Refraction: 1.559
Molar Refractivity: 151.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 12.72
ACD/LogD (pH 5.5): 10.87
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.79
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 47 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 44.6±5.0 dyne/cm
Molar Volume: 468.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement