ChemSpider 2D Image | Cholesteryl nervonate | C51H90O2

Cholesteryl nervonate

  • Molecular FormulaC51H90O2
  • Average mass735.259 Da
  • Monoisotopic mass734.694092 Da
  • ChemSpider ID23621210

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(15Z)-15-Tétracosénoate de (3β)-cholest-5-én-3-yle [French] [ACD/IUPAC Name]
(3β)-Cholest-5-en-3-yl (15Z)-15-tetracosenoate [ACD/IUPAC Name]
(3β)-Cholest-5-en-3-yl (15Z)-tetracos-15-enoate
(3β)-Cholest-5-en-3-yl-(15Z)-15-tetracosenoat [German] [ACD/IUPAC Name]
15-Tetracosenoic acid, (3β)-cholest-5-en-3-yl ester, (15Z)- [ACD/Index Name]
60758-73-8 [RN]
Cholesteryl nervonate
(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 (15Z)-tetracos-15-enoate
24:1 Cholesterol ester
CE(24:1(15Z))
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±0.1 g/cm3
Boiling Point: 729.2±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 396.5±14.6 °C
Index of Refraction: 1.508
Molar Refractivity: 231.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 2
ACD/LogP: 21.88
ACD/LogD (pH 5.5): 19.30
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.30
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 91.7±0.5 10-24cm3
Surface Tension: 38.4±5.0 dyne/cm
Molar Volume: 775.6±5.0 cm3

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