ChemSpider 2D Image | fecosteryl oleate | C46H78O2

fecosteryl oleate

  • Molecular FormulaC46H78O2
  • Average mass663.110 Da
  • Monoisotopic mass662.600159 Da
  • ChemSpider ID23107002

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3β,5α)-Ergosta-8,24(28)-dien-3-yl (9Z)-9-octadecenoate [ACD/IUPAC Name]
(3β,5α)-Ergosta-8,24(28)-dien-3-yl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Octadécénoate de (3β,5α)-ergosta-8,24(28)-dién-3-yle [French] [ACD/IUPAC Name]
9-Octadecenoic acid, (3β,5α)-ergosta-8,24(28)-dien-3-yl ester, (9Z)- [ACD/Index Name]
fecosteryl oleate
(2S,5S,7S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.02,7.011,15]heptadec-1(10)-en-5-yl (9Z)-octadec-9-enoate
(3β,5α)-ergosta-8,24(28)-dien-3-yl (9Z)-octadec-9-enoate
5α-ergosta-8,24(28)-dien-3β-yl (9Z)-octadec-9-enoate

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: 1.0±0.1 g/cm3
Boiling Point: 683.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 367.9±19.0 °C
Index of Refraction: 1.513
Molar Refractivity: 207.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 18.80
ACD/LogD (pH 5.5): 17.05
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 17.05
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 82.3±0.5 10-24cm3
Surface Tension: 38.1±5.0 dyne/cm
Molar Volume: 690.0±5.0 cm3

Click to predict properties on the Chemicalize site


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