ChemSpider 2D Image | 3-[(7E)-7-Hexadecenoyloxy]-2-hydroxypropyl (13Z)-13-docosenoate | C41H76O5

3-[(7E)-7-Hexadecenoyloxy]-2-hydroxypropyl (13Z)-13-docosenoate

  • Molecular FormulaC41H76O5
  • Average mass649.039 Da
  • Monoisotopic mass648.569275 Da
  • ChemSpider ID35028262
  • Double-bond stereo - Double-bond stereo


More details:






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

(13Z)-13-Docosénoate de 3-[(7E)-7-hexadecenoyloxy]-2-hydroxypropyle [French] [ACD/IUPAC Name]
13-Docosenoic acid, 2-hydroxy-3-[[(7E)-1-oxo-7-hexadecen-1-yl]oxy]propyl ester, (13Z)- [ACD/Index Name]
3-[(7E)-7-Hexadecenoyloxy]-2-hydroxypropyl (13Z)-13-docosenoate [ACD/IUPAC Name]
3-[(7E)-7-Hexadecenoyloxy]-2-hydroxypropyl-(13Z)-13-docosenoat [German] [ACD/IUPAC Name]
1-(9Z-Hexadecenoyl)-3-(13Z-docosenoyl)-sn-glycerol
1-Palmitoleoyl-3-erucoyl-sn-glycerol
3-(hexadec-7-enoyloxy)-2-hydroxypropyl (13Z)-docos-13-enoate
DAG(16:1/0:0/22:1)
DAG(16:1n7/0:0/22:1n9)
DAG(16:1w7/0:0/22:1w9)
More...

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 694.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.3±6.0 kJ/mol
Flash Point: 191.0±16.7 °C
Index of Refraction: 1.477
Molar Refractivity: 197.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 16.49
ACD/LogD (pH 5.5): 14.52
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.52
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 73 Å2
Polarizability: 78.2±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 697.4±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement