ChemSpider 2D Image | (3beta,24R)-Ergost-5-en-3-yl (7Z,10Z,13Z)-7,10,13-hexadecatrienoate | C44H72O2

(3β,24R)-Ergost-5-en-3-yl (7Z,10Z,13Z)-7,10,13-hexadecatrienoate

  • Molecular FormulaC44H72O2
  • Average mass633.041 Da
  • Monoisotopic mass632.553223 Da
  • ChemSpider ID113385137

  • 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,24R)-Ergost-5-en-3-yl (7Z,10Z,13Z)-7,10,13-hexadecatrienoate [ACD/IUPAC Name]
(3β,24R)-Ergost-5-en-3-yl-(7Z,10Z,13Z)-7,10,13-hexadecatrienoat [German] [ACD/IUPAC Name]
(7Z,10Z,13Z)-7,10,13-Hexadécatriénoate de (3β,24R)-ergost-5-én-3-yle [French] [ACD/IUPAC Name]
7,10,13-Hexadecatrienoic acid, (3β,24R)-ergost-5-en-3-yl ester, (7Z,10Z,13Z)- [ACD/Index Name]
16:3 Campesterol ester
Campest-5-en-3β-yl (7Z,10Z,13Z-hexadecatrienoate)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 666.1±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 357.0±16.0 °C
Index of Refraction: 1.523
Molar Refractivity: 198.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 16.77
ACD/LogD (pH 5.5): 14.17
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.17
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 78.8±0.5 10-24cm3
Surface Tension: 38.7±5.0 dyne/cm
Molar Volume: 650.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement