ChemSpider 2D Image | 1-hexadecyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphocholine | C46H82NO7P

1-hexadecyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphocholine

  • Molecular FormulaC46H82NO7P
  • Average mass792.120 Da
  • Monoisotopic mass791.582886 Da
  • ChemSpider ID24958571
  • 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-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyloxy]-3-(hexadecyloxy)propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
1-hexadecyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphocholine
Ethanaminium, 2-[[[(2R)-3-(hexadecyloxy)-2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-1-oxo-4,7,10,13,16,19-docosahexaen-1-yl]oxy]propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoyloxy]-3-(hexadécyloxy)propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(hexadecyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
(2R)-2-{[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy}-3-(hexadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-hexadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
[132213-85-5]
132213-85-5 [RN]
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  • Miscellaneous
    • Chemical Class:

      A phosphatidylcholine O-38:6 in which the alkyl and acyl groups specified at positions 1 and 2 are hexadecyl and (4<stereo>Z</stereo>,7<stereo>Z</stereo>,10<stereo>Z</stereo>,13<stereo>Z</stereo>,16<s tereo>Z</stereo>,19<stereo>Z</stereo>)-docosahexaenoyl respectively. ChEBI CHEBI:86248
      A phosphatidylcholine O-38:6 in which the alkyl and acyl groups specified at positions 1 and 2 are hexadecyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:86248

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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: 40
#Rule of 5 Violations: 2
ACD/LogP: 11.01
ACD/LogD (pH 5.5): 9.25
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4826410.50
ACD/LogD (pH 7.4): 9.25
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4826580.00
Polar Surface Area: 104 Å2
Polarizability:
Surface Tension:
Molar Volume:

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