ChemSpider 2D Image | (2S,5E,7E,9E,11E,13E,15E)-1,2-Dihydroxy-4-oxo-5,7,9,11,13,15-pentacosahexaen-3-yl 2-(trimethylammonio)ethyl phosphate | C30H50NO7P

(2S,5E,7E,9E,11E,13E,15E)-1,2-Dihydroxy-4-oxo-5,7,9,11,13,15-pentacosahexaen-3-yl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC30H50NO7P
  • Average mass567.694 Da
  • Monoisotopic mass567.332458 Da
  • ChemSpider ID31046266

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S,5E,7E,9E,11E,13E,15E)-1,2-Dihydroxy-4-oxo-5,7,9,11,13,15-pentacosahexaen-3-yl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2S,5E,7E,9E,11E,13E,15E)-1,2-Dihydroxy-4-oxo-5,7,9,11,13,15-pentacosahexaen-3-yl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[[[(3E,5E,7E,9E,11E,13E)-1-[(1S)-1,2-dihydroxyethyl]-2-oxo-3,5,7,9,11,13-tricosahexaen-1-yl]oxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2S,5E,7E,9E,11E,13E,15E)-1,2-dihydroxy-4-oxo-5,7,9,11,13,15-pentacosahexaén-3-yle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
159407-32-6 [RN]
2-docosahexaenoyl-sn-glycero-3-phosphocholine

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: 8
#H bond donors: 3
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 1
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 20.42
ACD/KOC (pH 5.5): 446.57
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 20.42
ACD/KOC (pH 7.4): 446.58
Polar Surface Area: 126 Å2
Polarizability:
Surface Tension:
Molar Volume:

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