ChemSpider 2D Image | Cholesteryl pelargonate | C37H64O2

Cholesteryl pelargonate

  • Molecular FormulaC37H64O2
  • Average mass540.903 Da
  • Monoisotopic mass540.490601 Da
  • ChemSpider ID21112504

  • defined stereocentres - 3 of 8 defined stereocentres

More details:

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

(4bS,10aS,10bR)-4a,6a-Dimethyl-7-(6-methyl-2-heptanyl)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11-hexadecahydro-2-chrysenyl nonanoate [ACD/IUPAC Name]
(4bS,10aS,10bR)-4a,6a-Dimethyl-7-(6-methyl-2-heptanyl)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11-hexadecahydro-2-chrysenyl-nonanoat [German] [ACD/IUPAC Name]
(4bS,10aS,10bR)-4a,6a-Dimethyl-7-(6-methylheptan-2-yl)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11-hexadecahydrochrysen-2-yl nonanoate
Cholesteryl pelargonate
Nonanoate de (4bS,10aS,10bR)-4a,6a-diméthyl-7-(6-méthyl-2-heptanyl)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11-hexadécahydro-2-chrysényle [French] [ACD/IUPAC Name]
Nonanoic acid, (4bS,10aS,10bR)-7-(1,5-dimethylhexyl)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11-hexadecahydro-4a,6a-dimethyl-2-chrysenyl ester [ACD/Index Name]

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

MFCD00003643 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 588.5±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 308.5±11.8 °C
Index of Refraction: 1.509
Molar Refractivity: 166.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 14.99
ACD/LogD (pH 5.5): 14.18
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.18
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 37.7±5.0 dyne/cm
Molar Volume: 558.0±5.0 cm3

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