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ChemSpider 2D Image | (2R)-3-[(1Z,11Z)-1,11-Octadecadien-1-yloxy]-2-[(9Z)-9-tetradecenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate | C40H76NO7P

(2R)-3-[(1Z,11Z)-1,11-Octadecadien-1-yloxy]-2-[(9Z)-9-tetradecenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC40H76NO7P
  • Average mass714.008 Da
  • Monoisotopic mass713.535950 Da
  • ChemSpider ID24767545
  • 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-[(1Z,11Z)-1,11-Octadecadien-1-yloxy]-2-[(9Z)-9-tetradecenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-[(1Z,11Z)-1,11-Octadecadien-1-yloxy]-2-[(9Z)-9-tetradecenoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-3-[(1Z,11Z)-1,11-octadecadien-1-yloxy]-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-[(1Z,11Z)-1,11-octadécadién-1-yloxy]-2-[(9Z)-9-tetradecenoyloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
1-(1-Enyl-vaccenoyl)-2-myristoleoyl-sn-glycero-3-phosphocholine
GPCho(18:1/14:1)
GPCho(18:1n7/14:1n5)
GPCho(18:1w7/14:1w5)
GPCho(32:2)
http://www.hmdb.ca/metabolites/HMDB0011270
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 10.41
ACD/LogD (pH 5.5): 8.60
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2144591.50
ACD/LogD (pH 7.4): 8.60
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2144667.00
Polar Surface Area: 104 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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