ChemSpider 2D Image | 1-tetracosyl-2-[(6Z,9Z,12Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine | C50H96NO7P

1-tetracosyl-2-[(6Z,9Z,12Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine

  • Molecular FormulaC50H96NO7P
  • Average mass854.273 Da
  • Monoisotopic mass853.692444 Da
  • ChemSpider ID35032640

  • 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-(tetracosyloxy)propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-[(6Z,9Z,12Z)-6,9,12-Octadecatrienoyloxy]-3-(tetracosyloxy)propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
1-tetracosyl-2-[(6Z,9Z,12Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine
Ethanaminium, 2-[[hydroxy[(2R)-2-[[(6Z,9Z,12Z)-1-oxo-6,9,12-octadecatrien-1-yl]oxy]-3-(tetracosyloxy)propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]-3-(tétracosyloxy)propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2R)-2-{[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy}-3-(tetracosyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
1-Lignoceryl-2-g-linolenoyl-sn-glycero-3-phosphocholine
1-Lignoceryl-2-γ-linolenoyl-sn-glycero-3-phosphocholine
1-tetracosyl-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phosphocholine
GPCho(24:0/18:3)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • Miscellaneous

    • Chemical Class:

      A phosphatidylcholine O-42:3 in which teh alkyl and acyl groups specified at positions 1 and 2 are tetracosyl and (6<stereo>Z</stereo>,9<stereo>Z</stereo>,12<stereo>Z</stereo>)-octadecatrienoyl respec tively. ChEBI CHEBI:86451
      A phosphatidylcholine O-42:3 in which teh alkyl and acyl groups specified at positions 1 and 2 are tetracosyl and (6Z,9Z,12Z)-octadecatrienoyl respec; tively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:86451
      A phosphatidylcholine O-42:3 in which teh alkyl and acyl groups specified at positions 1 and 2 are tetracosyl and (6Z,9Z,12Z)-octadecatrienoyl respectively. ChEBI CHEBI:86451

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: 8
#H bond donors: 1
#Freely Rotating Bonds: 47
#Rule of 5 Violations: 2
ACD/LogP: 15.05
ACD/LogD (pH 5.5): 12.90
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.90
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 104 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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