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Search term: 59657711 (Found by CSID)
ChemSpider 2D Image | (2S)-2,3-Bis[(9Z)-9-hexadecenoyloxy]propyl (5Z,8Z,11Z)-5,8,11-icosatrienoate | C55H96O6

(2S)-2,3-Bis[(9Z)-9-hexadecenoyloxy]propyl (5Z,8Z,11Z)-5,8,11-icosatrienoate

  • Molecular FormulaC55H96O6
  • Average mass853.347 Da
  • Monoisotopic mass852.720703 Da
  • ChemSpider ID59657711

  • 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

(2S)-2,3-Bis[(9Z)-9-hexadecenoyloxy]propyl (5Z,8Z,11Z)-5,8,11-icosatrienoate [ACD/IUPAC Name]
(2S)-2,3-Bis[(9Z)-9-hexadecenoyloxy]propyl-(5Z,8Z,11Z)-5,8,11-icosatrienoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z)-5,8,11-Icosatriénoate de (2S)-2,3-bis[(9Z)-9-hexadecenoyloxy]propyle [French] [ACD/IUPAC Name]
5,8,11-Eicosatrienoic acid, (2S)-2,3-bis[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]propyl ester, (5Z,8Z,11Z)- [ACD/Index Name]
(2S)-2,3-bis[(9Z)-hexadec-9-enoyloxy]propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate
1-(9Z-Hexadecenoyl)-2-(9Z-hexadecenoyl)-3-(5Z,8Z,11Z-eicosatrienoyl)-glycerol
1-Palmitoleoyl-2-palmitoleoyl-3-meadoyl-glycerol
TAG(16:1/16:1/20:3)
TAG(52:5)
TG(16:1(9Z)/16:1(9Z)/20:3(5Z,8Z,11Z))
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 0.9±0.1 g/cm3
Boiling Point: 799.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.3±3.0 kJ/mol
Flash Point: 298.7±32.9 °C
Index of Refraction: 1.485
Molar Refractivity: 262.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 49
#Rule of 5 Violations: 2
ACD/LogP: 21.57
ACD/LogD (pH 5.5): 19.24
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 19.24
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 79 Å2
Polarizability: 104.0±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 915.3±3.0 cm3

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