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Search term: 75319950 (Found by CSID)
ChemSpider 2D Image | (2R)-3-[(9Z)-9-Octadecenoyloxy]-2-(tridecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate | C39H76NO8P

(2R)-3-[(9Z)-9-Octadecenoyloxy]-2-(tridecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC39H76NO8P
  • Average mass717.996 Da
  • Monoisotopic mass717.530884 Da
  • ChemSpider ID75319950

  • 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)-3-[(9Z)-9-Octadecenoyloxy]-2-(tridecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-[(9Z)-9-Octadecenoyloxy]-2-(tridecanoyloxy)propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-3-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]-2-[(1-oxotridecyl)oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-3-[(9Z)-9-octadecenoyloxy]-2-(tridecanoyloxy)propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
1-(9Z-octadecenoyl)-2-tridecanoyl-glycero-3-phosphocholine
PC(13:0_18:1)
PC(18:1(9Z)/13:0)
PC(31:1)

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

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: 1
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 9.83
ACD/LogD (pH 5.5): 9.16
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4298137.00
ACD/LogD (pH 7.4): 9.16
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4298283.50
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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