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Search term: 113374885 (Found by CSID)
ChemSpider 2D Image | (2R)-3-(Dodecanoyloxy)-2-[(9Z)-9-tetradecenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate | C34H66NO8P

(2R)-3-(Dodecanoyloxy)-2-[(9Z)-9-tetradecenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC34H66NO8P
  • Average mass647.864 Da
  • Monoisotopic mass647.452576 Da
  • ChemSpider ID113374885

  • 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-(Dodecanoyloxy)-2-[(9Z)-9-tetradecenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-(Dodecanoyloxy)-2-[(9Z)-9-tetradecenoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-3-[(1-oxododecyl)oxy]-2-[[(9Z)-1-oxo-9-tetradecen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-3-(dodecanoyloxy)-2-[(9Z)-9-tetradecenoyloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
1-dodecanoyl-2-(9Z-tetradecenoyl)-glycero-3-phosphocholine
PC(12:0/14:1(9Z))
PC(12:0_14:1)
PC(26:1)

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: 33
#Rule of 5 Violations: 2
ACD/LogP: 7.17
ACD/LogD (pH 5.5): 5.48
ACD/BCF (pH 5.5): 11930.58
ACD/KOC (pH 5.5): 42676.14
ACD/LogD (pH 7.4): 5.48
ACD/BCF (pH 7.4): 11930.99
ACD/KOC (pH 7.4): 42677.59
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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