ChemSpider 2D Image | Cholest-5-en-3-yl nonanoate | C36H62O2

Cholest-5-en-3-yl nonanoate

  • Molecular FormulaC36H62O2
  • Average mass526.876 Da
  • Monoisotopic mass526.474976 Da
  • ChemSpider ID23159753

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

Cholest-5-en-3-yl nonanoate [ACD/IUPAC Name]
Cholest-5-en-3-yl-nonanoat [German] [ACD/IUPAC Name]
Nonanoate de cholest-5-én-3-yle [French] [ACD/IUPAC Name]
Nonanoic acid, cholest-5-en-3-yl ester [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL302573/
Nonanoic acid (8S,9S,10R,13R,14S,17R)-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester

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

Density: 1.0±0.1 g/cm3
Boiling Point: 576.3±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 300.8±11.8 °C
Index of Refraction: 1.510
Molar Refractivity: 162.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 14.42
ACD/LogD (pH 5.5): 13.16
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.16
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 37.6±5.0 dyne/cm
Molar Volume: 541.9±5.0 cm3

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