ChemSpider 2D Image | 1-[(9Z)-hexadecenoyl]-2-[(5Z,8Z,11Z,14Z)-eicosatetraenoyl]-sn-glycero-3-phosphocholine | C44H78NO8P

1-[(9Z)-hexadecenoyl]-2-[(5Z,8Z,11Z,14Z)-eicosatetraenoyl]-sn-glycero-3-phosphocholine

  • Molecular FormulaC44H78NO8P
  • Average mass780.066 Da
  • Monoisotopic mass779.546509 Da
  • ChemSpider ID24766684

  • 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)-3-[(9Z)-9-Hexadecenoyloxy]-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-[(9Z)-9-Hexadecenoyloxy]-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
1-[(9Z)-hexadecenoyl]-2-[(5Z,8Z,11Z,14Z)-eicosatetraenoyl]-sn-glycero-3-phosphocholine
Ethanaminium, 2-[[hydroxy[(2R)-2-[[(5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraen-1-yl]oxy]-3-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-3-[(9Z)-9-hexadecenoyloxy]-2-[(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
1-(9Z-hexadecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine
13.Phosphatidylcholine(16:1n7/20:4n6)
1-Palmitoleoyl-2-arachidonoyl-sn-glycero-3-phosphocholine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • Miscellaneous

    • Chemical Class:

      A phosphatidylcholine 36:5 in which the acyl groups specified at positions 1 and 2 are (9<stereo>Z</stereo>)-hexadecenoyl and (5<stereo>Z</stereo>,8<stereo>Z</stereo>,11<stereo>Z</stereo>,14<stereo>Z< /stereo>)-eicosatetraenoyl respectively. ChEBI CHEBI:84816
      A phosphatidylcholine 36:5 in which the acyl groups specified at positions 1 and 2 are (9Z)-hexadecenoyl and (5Z,8Z,11Z,14<stereo>Z<; /stereo>)-eicosatetraenoyl respectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:84816
      A phosphatidylcholine 36:5 in which the acyl groups specified at positions 1 and 2 are (9Z)-hexadecenoyl and (5Z,8Z,11Z,14Z)-eicosatetraenoyl respectively. ChEBI CHEBI:84816

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: 39
#Rule of 5 Violations: 2
ACD/LogP: 10.21
ACD/LogD (pH 5.5): 7.91
ACD/BCF (pH 5.5): 839091.88
ACD/KOC (pH 5.5): 896094.81
ACD/LogD (pH 7.4): 7.91
ACD/BCF (pH 7.4): 839120.44
ACD/KOC (pH 7.4): 896125.31
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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