ChemSpider 2D Image | DG(22:1(13Z)/16:1(9Z)/0:0) | C41H76O5

DG(22:1(13Z)/16:1(9Z)/0:0)

  • Molecular FormulaC41H76O5
  • Average mass649.039 Da
  • Monoisotopic mass648.569275 Da
  • ChemSpider ID24766294
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

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

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

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

Density: 0.9±0.1 g/cm3
Boiling Point: 687.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.2±6.0 kJ/mol
Flash Point: 188.3±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): 14.10
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.10
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

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