ChemSpider 2D Image | 2-[(9Z)-9-Octadecenoyloxy]-1,3-propanediyl (6Z,6'Z)bis(-6-octadecenoate) | C57H104O6

2-[(9Z)-9-Octadecenoyloxy]-1,3-propanediyl (6Z,6'Z)bis(-6-octadecenoate)

  • Molecular FormulaC57H104O6
  • Average mass885.432 Da
  • Monoisotopic mass884.783264 Da
  • ChemSpider ID7825521

  • Double-bond stereo - Double-bond stereo

More details:

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

(6Z,6'Z)Bis(-6-octadécénoate) de 2-[(9Z)-9-octadecenoyloxy]-1,3-propanediyle [French] [ACD/IUPAC Name]
2-[(9Z)-9-Octadecenoyloxy]-1,3-propandiyl-(6Z,6'Z)bis(-6-octadecenoat) [German] [ACD/IUPAC Name]
2-[(9Z)-9-Octadecenoyloxy]-1,3-propanediyl (6Z,6'Z)bis(-6-octadecenoate) [ACD/IUPAC Name]
6-Octadecenoic acid, 2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]-1,3-propanediyl ester, (6Z,6'Z)- [ACD/Index Name]
1,3-di-(6Z-octadecenoyl)-2-(9Z-octadecenoyl)-glycerol
1,3-di-(6Z-octadecenoyl)-2-(9Z-octadecenoyl)-sn-glycerol
1,3-dipetroselinoyl-2-oleoyl-sn-glycerol
256393-22-3 [RN]
TG(18:1(6Z)/18:1(9Z)/18:1(6Z))
TG(18:1/18:1/18:1)

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

LMGL03012613 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 818.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.0±3.0 kJ/mol
Flash Point: 302.7±31.5 °C
Index of Refraction: 1.477
Molar Refractivity: 271.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 53
#Rule of 5 Violations: 2
ACD/LogP: 23.85
ACD/LogD (pH 5.5): 22.43
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 22.43
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 107.7±0.5 10-24cm3
Surface Tension: 34.7±3.0 dyne/cm
Molar Volume: 961.1±3.0 cm3

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