ChemSpider 2D Image | 7?-hydroxycholesteryl 3-oleate | C45H78O3

7?-hydroxycholesteryl 3-oleate

  • Molecular FormulaC45H78O3
  • Average mass667.099 Da
  • Monoisotopic mass666.595093 Da
  • ChemSpider ID32699072

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,7β,20R)-7-Hydroxycholest-5-en-3-yl (9Z)-9-octadecenoate [ACD/IUPAC Name]
(3β,7β,20R)-7-Hydroxycholest-5-en-3-yl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Octadécénoate de (3β,7β,20R)-7-hydroxycholest-5-én-3-yle [French] [ACD/IUPAC Name]
141099-60-7 [RN]
7?-hydroxycholesteryl 3-oleate
9-Octadecenoic acid, (3β,7β,20R)-7-hydroxycholest-5-en-3-yl ester, (9Z)- [ACD/Index Name]
7-hydroxycholesteryl-3-oleate
7β-HYDROXYCHOLESTERYL 3-OLEATE

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

A59FMD985O [DBID]
UNII:A59FMD985O [DBID]
UNII-A59FMD985O [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: 700.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.3±6.0 kJ/mol
Flash Point: 239.9±25.7 °C
Index of Refraction: 1.517
Molar Refractivity: 205.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 16.78
ACD/LogD (pH 5.5): 14.94
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.94
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 47 Å2
Polarizability: 81.3±0.5 10-24cm3
Surface Tension: 40.2±5.0 dyne/cm
Molar Volume: 677.4±5.0 cm3

Click to predict properties on the Chemicalize site


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