ChemSpider 2D Image | 1-docosyl-2-[(10Z,13Z,16Z)-docosatrienoyl]-sn-glycero-3-phosphocholine | C52H100NO7P

1-docosyl-2-[(10Z,13Z,16Z)-docosatrienoyl]-sn-glycero-3-phosphocholine

  • Molecular FormulaC52H100NO7P
  • Average mass882.327 Da
  • Monoisotopic mass881.723755 Da
  • ChemSpider ID35032631

  • 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-[(10Z,13Z,16Z)-10,13,16-Docosatrienoyloxy]-3-(docosyloxy)propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-[(10Z,13Z,16Z)-10,13,16-Docosatrienoyloxy]-3-(docosyloxy)propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
1-docosyl-2-[(10Z,13Z,16Z)-docosatrienoyl]-sn-glycero-3-phosphocholine
Ethanaminium, 2-[[[(2R)-3-(docosyloxy)-2-[[(10Z,13Z,16Z)-1-oxo-10,13,16-docosatrien-1-yl]oxy]propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-[(10Z,13Z,16Z)-10,13,16-docosatrienoyloxy]-3-(docosyloxy)propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-2-[(10Z,13Z,16Z)-docosa-10,13,16-trienoyloxy]-3-(docosyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
(2R)-2-{[(10Z,13Z,16Z)-docosa-10,13,16-trienoyl]oxy}-3-(docosyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
1-Behenyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycero-3-phosphocholine
1-docosyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycero-3-phosphocholine
GPCho(22:0/22:3)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • Miscellaneous

    • Chemical Class:

      A phosphatidylcholine O-44:3 in which the alkyl and acyl groups specified at positions 1 and 2 are docosyl and (10<stereo>Z</stereo>,13<stereo>Z</stereo>,16<stereo>Z</stereo>)-docosatrienoyl respectiv ely. ChEBI CHEBI:86454
      A phosphatidylcholine O-44:3 in which the alkyl and acyl groups specified at positions 1 and 2 are docosyl and (10Z,13Z,16Z)-docosatrienoyl respectiv; ely. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:86454
      A phosphatidylcholine O-44:3 in which the alkyl and acyl groups specified at positions 1 and 2 are docosyl and (10Z,13Z,16Z)-docosatrienoyl respectively. ChEBI CHEBI:86454

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: 49
#Rule of 5 Violations: 2
ACD/LogP: 16.04
ACD/LogD (pH 5.5): 13.99
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.99
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 104 Å2
Polarizability:
Surface Tension:
Molar Volume:

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