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Search term: NWKGPTOQIOBTPZ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R)-3-Hydroxy-2-{[(9Z)-12-hydroxy-9-octadecenoyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate | C26H52NO8P

(2R)-3-Hydroxy-2-{[(9Z)-12-hydroxy-9-octadecenoyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC26H52NO8P
  • Average mass537.667 Da
  • Monoisotopic mass537.343079 Da
  • ChemSpider ID76963098

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R)-3-Hydroxy-2-{[(9Z)-12-hydroxy-9-octadecenoyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-Hydroxy-2-{[(9Z)-12-hydroxy-9-octadecenoyl]oxy}propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-3-hydroxy-2-[[(9Z)-12-hydroxy-1-oxo-9-octadecen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-3-hydroxy-2-{[(9Z)-12-hydroxy-9-octadecenoyl]oxy}propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2R)-3-hydroxy-2-{[(9Z)-12-hydroxyoctadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
2-(12-hydroxy-9Z-octadecenoyl)-sn-glycero-3-phosphocholine
2-(12-hydroxyoleoyl)-sn-glycero-3-phosphocholine
2-[(9Z)-12-hydroxyoctadec-9-enoyl]-sn-glycero-3-phosphocholine

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: 3
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 1
ACD/LogP: 1.39
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.99
ACD/KOC (pH 5.5): 84.39
ACD/LogD (pH 7.4): 0.51
ACD/BCF (pH 7.4): 1.99
ACD/KOC (pH 7.4): 84.39
Polar Surface Area: 135 Å2
Polarizability:
Surface Tension:
Molar Volume:

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