ChemSpider 2D Image | (2R)-2-[(6Z,9Z,12Z)-6,9,12-Octadecatrienoyloxy]-3-[(9Z)-9-octadecenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate | C44H80NO8P

(2R)-2-[(6Z,9Z,12Z)-6,9,12-Octadecatrienoyloxy]-3-[(9Z)-9-octadecenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC44H80NO8P
  • Average mass782.082 Da
  • Monoisotopic mass781.562134 Da
  • ChemSpider ID24766768

  • 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-[(6Z,9Z,12Z)-6,9,12-Octadecatrienoyloxy]-3-[(9Z)-9-octadecenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-[(6Z,9Z,12Z)-6,9,12-Octadecatrienoyloxy]-3-[(9Z)-9-octadecenoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-2-[[(6Z,9Z,12Z)-1-oxo-6,9,12-octadecatrien-1-yl]oxy]-3-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]-3-[(9Z)-9-octadecenoyloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2R)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylazaniumyl)ethyl phosphate
1-(9Z-octadecenoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-glycero-3-phosphocholine
1-Oleoyl-2-g-linolenoyl-sn-glycero-3-phosphocholine
1-Oleoyl-2-γ-linolenoyl-sn-glycero-3-phosphocholine
GPCho(18:1/18:3)
GPCho(18:1n9/18:3n6)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • Miscellaneous

    • Chemical Class:

      A phosphatidylcholine 36:4 in which the acyl groups specified at positions 1 and 2 are (9Z)-octadecenoyl and (6Z,9Z,12Z)-octadecatrienoyl respectively. ChEBI CHEBI:86130

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 10.84
ACD/LogD (pH 5.5): 8.69
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2373173.50
ACD/LogD (pH 7.4): 8.69
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2373254.25
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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