Found 7 results

Search term: PDIGSOAOQOXRDU (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R)-2-Hydroxy-3-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]propyl 2-{tris[(~2~H_3_)methyl]ammonio}ethyl phosphate | C28H39D9NO7P

(2R)-2-Hydroxy-3-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]propyl 2-{tris[(2H3)methyl]ammonio}ethyl phosphate

  • Molecular FormulaC28H39D9NO7P
  • Average mass550.712 Da
  • Monoisotopic mass550.373352 Da
  • ChemSpider ID107443995

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2R)-2-Hydroxy-3-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]propyl 2-{tris[(2H3)methyl]ammonio}ethyl phosphate [ACD/IUPAC Name]
(2R)-2-Hydroxy-3-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]propyl-2-{tris[(2H3)methyl]ammonio}ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-2-hydroxy-3-[[(5Z,8Z,11Z,14Z,17Z)-1-oxo-5,8,11,14,17-eicosapentaen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-tri(methyl-d3)-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-hydroxy-3-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoyloxy]propyle et de 2-{tris[(2H3)méthyl]ammonio}éthyle [French] [ACD/IUPAC Name]

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: 2
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 1
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 2.79
ACD/KOC (pH 5.5): 107.53
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 2.79
ACD/KOC (pH 7.4): 107.53
Polar Surface Area: 115 Å2
Polarizability:
Surface Tension:
Molar Volume:

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