ChemSpider 2D Image | (2R)-2,3-Bis[(~2~H_31_)hexadecanoyloxy]propyl 2-{tris[(~2~H_3_)methyl]ammonio}(~2~H_4_)ethyl phosphate | C40H5D75NO8P

(2R)-2,3-Bis[(2H31)hexadecanoyloxy]propyl 2-{tris[(2H3)methyl]ammonio}(2H4)ethyl phosphate

  • Molecular FormulaC40H5D75NO8P
  • Average mass809.501 Da
  • Monoisotopic mass809.032898 Da
  • ChemSpider ID57558708
  • 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[(2H31)hexadecanoyloxy]propyl 2-{tris[(2H3)methyl]ammonio}(2H4)ethyl phosphate [ACD/IUPAC Name]
(2R)-2,3-Bis[(2H31)hexadecanoyloxy]propyl-2-{tris[(2H3)methyl]ammonio}(2H4)ethylphosphat [German] [ACD/IUPAC Name]
Ethan-1,1,2,2-d4-aminium, 2-[[[(2R)-2,3-bis[(1-oxohexadecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-d31)oxy]propoxy]hydroxyphosphinyl]oxy]-N,N,N-tri(methyl-d3 )-, inner salt [ACD/Index Name]
Phosphate de (2R)-2,3-bis[(2H31)hexadecanoyloxy]propyle et de 2-{tris[(2H3)méthyl]ammonio}(2H4)éthyle [French] [ACD/IUPAC Name]
(2R)-2,3-Bis[(2H31)hexadecanoyloxy]propyl 2-{tris[(2H3)methyl]azaniumyl}(2H4)ethyl phosphate
16:0 PC-d75
181041-62-3 [RN]
MFCD00036903 [MDL number]

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: 40
#Rule of 5 Violations: 2
ACD/LogP: 10.88
ACD/LogD (pH 5.5): 10.01
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.01
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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