ChemSpider 2D Image | 2,3-Bis[(9Z)-9-hexadecenoyloxy]propyl (13Z)-13-docosenoate | C57H104O6

2,3-Bis[(9Z)-9-hexadecenoyloxy]propyl (13Z)-13-docosenoate

  • Molecular FormulaC57H104O6
  • Average mass885.432 Da
  • Monoisotopic mass884.783264 Da
  • ChemSpider ID7823282

  • 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 2,3-bis[(9Z)-9-hexadecenoyloxy]propyle [French] [ACD/IUPAC Name]
13-Docosenoic acid, 2,3-bis[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]propyl ester, (13Z)- [ACD/Index Name]
2,3-Bis[(9Z)-9-hexadecenoyloxy]propyl (13Z)-13-docosenoate [ACD/IUPAC Name]
2,3-Bis[(9Z)-9-hexadecenoyloxy]propyl-(13Z)-13-docosenoat [German] [ACD/IUPAC Name]
(2S)-2,3-bis[(9Z)-hexadec-9-enoyloxy]propyl (13Z)-docos-13-enoate
1,2-di-(9Z-hexadecenoyl)-3-(13Z-docosenoyl)-sn-glycerol
TG(16:1(9Z)/16:1(9Z)/22:1(13Z))[iso3]
TG(16:1/16:1/22:1)[iso3]
TG(16:116:122:1)
TG(54:3)

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

LMGL03010368 [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±45.0 °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±28.8 °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: 23.71
ACD/LogD (pH 5.5): 21.27
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.27
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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