ChemSpider 2D Image | Cholest-5-en-3-ol (3β)-, 3-(7,10,13,16-docosatetraenoate) | C49H80O2

Cholest-5-en-3-ol (3β)-, 3-(7,10,13,16-docosatetraenoate)

  • Molecular FormulaC49H80O2
  • Average mass701.158 Da
  • Monoisotopic mass700.615845 Da
  • ChemSpider ID17221005

  • 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

(3β)-Cholest-5-en-3-yl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate [ACD/IUPAC Name]
(3β)-Cholest-5-en-3-yl-(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoat [German] [ACD/IUPAC Name]
(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatétraénoate de (3β)-cholest-5-én-3-yle [French] [ACD/IUPAC Name]
14940-92-2 [RN]
7,10,13,16-Docosatetraenoic acid, (3β)-cholest-5-en-3-yl ester, (7Z,10Z,13Z,16Z)- [ACD/Index Name]
Cholest-5-en-3-ol (3β)-, 3-(7,10,13,16-docosatetraenoate)
(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 (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
(3β)-cholest-5-en-3-yl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
22:4 Cholesterol ester
22:4 cholesteryl ester
More...

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

Density: 1.0±0.1 g/cm3
Boiling Point: 717.1±49.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 389.0±17.4 °C
Index of Refraction: 1.525
Molar Refractivity: 221.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 2
ACD/LogP: 18.93
ACD/LogD (pH 5.5): 16.66
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.66
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 87.9±0.5 10-24cm3
Surface Tension: 39.5±5.0 dyne/cm
Molar Volume: 723.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement