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Search term: 113374941 (Found by CSID)
ChemSpider 2D Image | (2R)-2-(Palmitoyloxy)-3-[(9Z)-9-pentadecenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate | C39H76NO8P

(2R)-2-(Palmitoyloxy)-3-[(9Z)-9-pentadecenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC39H76NO8P
  • Average mass717.996 Da
  • Monoisotopic mass717.530884 Da
  • ChemSpider ID113374941

  • 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-(Palmitoyloxy)-3-[(9Z)-9-pentadecenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-(Palmitoyloxy)-3-[(9Z)-9-pentadecenoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-2-[(1-oxohexadecyl)oxy]-3-[[(9Z)-1-oxo-9-pentadecen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-(palmitoyloxy)-3-[(9Z)-9-pentadecenoyloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
1-(9Z-pentadecenoyl)-2-hexadecanoyl-glycero-3-phosphocholine
PC(15:1(9Z)/16:0)
PC(15:1_16:0)
PC(31:1)

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): 8.44
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1747713.63
ACD/LogD (pH 7.4): 8.44
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1747773.13
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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