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Search term: JFISYPWOVQNHLS-HMOYFKASSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Triglyceride OOP,sn | C55H102O6

Triglyceride OOP,sn

  • Molecular FormulaC55H102O6
  • Average mass859.395 Da
  • Monoisotopic mass858.767639 Da
  • ChemSpider ID29368572

  • 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

(9Z,9'Z)Bis(-9-octadécénoate) de 3-(palmitoyloxy)-1,2-propanediyle [French] [ACD/IUPAC Name]
1,2-dioleoyl-3-palmitoyl-sn-glycerol
14863-26-4 [RN]
3-(Palmitoyloxy)-1,2-propandiyl-(9Z,9'Z)bis(-9-octadecenoat) [German] [ACD/IUPAC Name]
3-(Palmitoyloxy)-1,2-propanediyl (9Z,9'Z)bis(-9-octadecenoate) [ACD/IUPAC Name]
9-Octadecenoic acid, 1-[[(1-oxohexadecyl)oxy]methyl]-1,2-ethanediyl ester, (9Z,9'Z)- [ACD/Index Name]
Triglyceride OOP,sn
(2S)-1-(hexadecanoyloxy)-3-[(9Z)-octadec-9-enoyloxy]propan-2-yl (9Z)-octadec-9-enoate
(2S)-3-(hexadecanoyloxy)propane-1,2-diyl (9Z,9'Z)bis-octadec-9-enoate
1,2-di-(9Z)-octadecenoyl-3-hexadecanoyl-sn-glycerol
More...

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: 802.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 298.4±28.8 °C
Index of Refraction: 1.473
Molar Refractivity: 262.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 52
#Rule of 5 Violations: 2
ACD/LogP: 23.17
ACD/LogD (pH 5.5): 21.82
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.82
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: 34.6±3.0 dyne/cm
Molar Volume: 934.5±3.0 cm3

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