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Search term: 113375022 (Found by CSID)
ChemSpider 2D Image | (2R)-3-[(9Z,12Z)-9,12-Heptadecadienoyloxy]-2-(tridecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate | C38H72NO8P

(2R)-3-[(9Z,12Z)-9,12-Heptadecadienoyloxy]-2-(tridecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC38H72NO8P
  • Average mass701.954 Da
  • Monoisotopic mass701.499573 Da
  • ChemSpider ID113375022

  • 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,12Z)-9,12-Heptadecadienoyloxy]-2-(tridecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-[(9Z,12Z)-9,12-Heptadecadienoyloxy]-2-(tridecanoyloxy)propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-3-[[(9Z,12Z)-1-oxo-9,12-heptadecadien-1-yl]oxy]-2-[(1-oxotridecyl)oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-3-[(9Z,12Z)-9,12-heptadecadienoyloxy]-2-(tridecanoyloxy)propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
1-(9Z,12Z-heptadecadienoyl)-2-tridecanoyl-glycero-3-phosphocholine
PC(13:0_17:2)
PC(17:2(9Z,12Z)/13:0)
PC(30:2)

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: 36
#Rule of 5 Violations: 2
ACD/LogP: 8.78
ACD/LogD (pH 5.5): 6.75
ACD/BCF (pH 5.5): 111465.05
ACD/KOC (pH 5.5): 211272.25
ACD/LogD (pH 7.4): 6.75
ACD/BCF (pH 7.4): 111468.84
ACD/KOC (pH 7.4): 211279.44
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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