ChemSpider 2D Image | 1-elaidoyl-sn-glycero-3-phosphocholine | C26H52NO7P

1-elaidoyl-sn-glycero-3-phosphocholine

  • Molecular FormulaC26H52NO7P
  • Average mass521.667 Da
  • Monoisotopic mass521.348145 Da
  • ChemSpider ID24823009
  • 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-[(9E)-9-octadecenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-Hydroxy-3-[(9E)-9-octadecenoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
1-elaidoyl-sn-glycero-3-phosphocholine
Ethanaminium, 2-[[hydroxy[(2R)-2-hydroxy-3-[[(9E)-1-oxo-9-octadecen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-hydroxy-3-[(9E)-9-octadecenoyloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-2-hydroxy-3-(octadec-9-enoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
(2R)-2-hydroxy-3-[(9E)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
(2R)-2-hydroxy-3-[(9E)-octadec-9-enoyloxy]propyl 2-(trimethylazaniumyl)ethyl phosphate
(4R,7R,18E)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide
1-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • Miscellaneous
    • Chemical Class:

      A lysophosphatidylcholine 18:1 in which the acyl group is at position 1 is elaidoyl [(9<stereo>E</stereo>)-octadec-9-enoyl] and the hydoxy group at position 2 is unsubstituted. ChEBI CHEBI:72589
      A lysophosphatidylcholine 18:1 in which the acyl group is at position 1 is elaidoyl [(9E)-octadec-9-enoyl] and the hydoxy group at position 2 is unsubstituted. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:72589

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: 2
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 1
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 32.08
ACD/KOC (pH 5.5): 617.09
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 32.09
ACD/KOC (pH 7.4): 617.11
Polar Surface Area: 115 Å2
Polarizability:
Surface Tension:
Molar Volume:

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