ChemSpider 2D Image | (2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-[(9Z)-9-heptadecenoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate | C64H102O6

(2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-[(9Z)-9-heptadecenoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate

  • Molecular FormulaC64H102O6
  • Average mass967.491 Da
  • Monoisotopic mass966.767639 Da
  • ChemSpider ID7825107

  • 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

(2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-[(9Z)-9-heptadecenoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoate [ACD/IUPAC Name]
(2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-3-[(9Z)-9-heptadecenoyloxy]propyl-(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoat [German] [ACD/IUPAC Name]
(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaénoate de (2R)-2-[(7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoyloxy]-3-[(9Z)-9-heptadecenoyloxy]propyle [French] [ACD/IUPAC Name]
4,7,10,13,16,19-Docosahexaenoic acid, (2R)-2-[[(7Z,10Z,13Z,16Z)-1-oxo-7,10,13,16-docosatetraen-1-yl]oxy]-3-[[(9Z)-1-oxo-9-heptadecen-1-yl]oxy]propyl ester, (4Z,7Z,10Z,13Z,16Z,19Z)- [ACD/Index Name]
1-(9Z-heptadecenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol
TG(17:1(9Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]
TG(17:1/22:4/22:6)[iso6]
TG(17:122:422:6)
TG(61:11)

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

LMGL03012196 [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: 871.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 126.7±3.0 kJ/mol
Flash Point: 317.2±34.3 °C
Index of Refraction: 1.506
Molar Refractivity: 304.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 52
#Rule of 5 Violations: 2
ACD/LogP: 22.51
ACD/LogD (pH 5.5): 19.67
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.67
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 120.7±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 1025.6±3.0 cm3

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