ChemSpider 2D Image | CHOLESTERYL NONADECANOATE | C46H82O2

CHOLESTERYL NONADECANOATE

  • Molecular FormulaC46H82O2
  • Average mass667.142 Da
  • Monoisotopic mass666.630981 Da
  • ChemSpider ID20118443

  • 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 nonadecanoate [ACD/IUPAC Name]
(3β)-Cholest-5-en-3-yl-nonadecanoat [German] [ACD/IUPAC Name]
25605-90-7 [RN]
cholest-5-en-3β-yl nonadecanoate
CHOLESTERYL NONADECANOATE
Nonadécanoate de (3β)-cholest-5-én-3-yle [French] [ACD/IUPAC Name]
Nonadecanoic acid, (3β)-cholest-5-en-3-yl ester [ACD/Index Name]
(1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.02,7.011,15]heptadec-7-en-5-yl nonadecanoate
(1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.02,7.011,15]heptadec-7-en-5-yl nonadecanoate
19:0 Cholesterol ester
More...

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

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

Density: 0.9±0.0 g/cm3
Boiling Point: 681.7±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 100.0±0.0 kJ/mol
Flash Point: 366.8±0.0 °C
Index of Refraction: 1.504
Molar Refractivity: 208.3±0.0 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 19.74
ACD/LogD (pH 5.5): 19.74
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.74
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 82.6±0.0 10-24cm3
Surface Tension: 37.9±0.0 dyne/cm
Molar Volume: 702.3±0.0 cm3

Click to predict properties on the Chemicalize site


Advertisement