ChemSpider 2D Image | 1-meadoyl-sn-glycero-3-phosphocholine | C28H52NO7P

1-meadoyl-sn-glycero-3-phosphocholine

  • Molecular FormulaC28H52NO7P
  • Average mass545.689 Da
  • Monoisotopic mass545.348145 Da
  • ChemSpider ID24766531

  • 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-Hydroxy-3-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-Hydroxy-3-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
1199257-41-4 [RN]
1-meadoyl-sn-glycero-3-phosphocholine
3,5,9-Trioxa-4-phosphanonacosa-14,17,20-trien-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (7R,14Z,17Z,20Z)-
Ethanaminium, 2-[[hydroxy[(2R)-2-hydroxy-3-[[(5Z,8Z,11Z)-1-oxo-5,8,11-eicosatrien-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-hydroxy-3-[(5Z,8Z,11Z)-5,8,11-icosatrienoyloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-2-hydroxy-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
(2R)-2-hydroxy-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
1-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycero-3-phosphocholine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • Miscellaneous

    • Chemical Class:

      A lysophosphatidylcholine 20:3 in which the acyl group at position 1 is (5<stereo>Z</stereo>,8<stereo>Z</stereo>,11<stereo>Z</stereo>)-icosatrienoyl (meadoyl) and the hydroxy group at position 2 is un substituted. ChEBI CHEBI:74343
      A lysophosphatidylcholine 20:3 in which the acyl group at position 1 is (5Z,8Z,11Z)-icosatrienoyl (meadoyl) and the hydroxy group at position 2 is un; substituted. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:74343
      A lysophosphatidylcholine 20:3 in which the acyl group at position 1 is (5Z,8Z,11Z)-icosatrienoyl (meadoyl) and the hydroxy group at position 2 is unsubstituted. ChEBI CHEBI:74343

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: 2
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 1
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 29.91
ACD/KOC (pH 5.5): 586.79
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 29.91
ACD/KOC (pH 7.4): 586.81
Polar Surface Area: 115 Å2
Polarizability:
Surface Tension:
Molar Volume:

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