ChemSpider 2D Image | 3-sn-Phosphatidyl(choline-d13),1,2-dimyristoyl-d54 | C36H5D67NO8P

3-sn-Phosphatidyl(choline-d13),1,2-dimyristoyl-d54

  • Molecular FormulaC36H5D67NO8P
  • Average mass745.345 Da
  • Monoisotopic mass744.920105 Da
  • ChemSpider ID49071845
  • 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)-2,3-Bis[(2H27)tetradecanoyloxy]propyl 2-{tris[(2H3)methyl]ammonio}(2H4)ethyl phosphate [ACD/IUPAC Name]
(2R)-2,3-Bis[(2H27)tetradecanoyloxy]propyl-2-{tris[(2H3)methyl]ammonio}(2H4)ethylphosphat [German] [ACD/IUPAC Name]
1,2-Ditetradecanoyl-d54-sn-glycero-3-phospho(choline-d13)
3-sn-Phosphatidyl(choline-d13),1,2-dimyristoyl-d54
Ethan-1,1,2,2-d4-aminium, 2-[[[(2R)-2,3-bis[(1-oxotetradecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-d27)oxy]propoxy]hydroxyphosphinyl]oxy]-N,N,N-tri(methyl-d3)-, inner ;salt [ACD/Index Name]
MFCD00674381 [MDL number]
Phosphate de (2R)-2,3-bis[(2H27)tetradecanoyloxy]propyle et de 2-{tris[(2H3)méthyl]ammonio}(2H4)éthyle [French] [ACD/IUPAC Name]
(2R)-2,3-Bis[(2H27)tetradecanoyloxy]propyl 2-{tris[(2H3)methyl]azaniumyl}(2H4)ethyl phosphate
1,2-Dimyristoyl-d54-sn-glycero-3-phospho(choline-d13)
14:0 PC-d67
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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: 8.75
ACD/LogD (pH 5.5): 7.91
ACD/BCF (pH 5.5): 849229.69
ACD/KOC (pH 5.5): 903831.75
ACD/LogD (pH 7.4): 7.91
ACD/BCF (pH 7.4): 849258.63
ACD/KOC (pH 7.4): 903862.50
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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