ChemSpider 2D Image | 3-[(16,16,16-~2~H_3_)Hexadecanoyloxy]-4-(trimethylammonio)butanoate | C23H42D3NO4

3-[(16,16,16-2H3)Hexadecanoyloxy]-4-(trimethylammonio)butanoate

  • Molecular FormulaC23H42D3NO4
  • Average mass402.626 Da
  • Monoisotopic mass402.353699 Da
  • ChemSpider ID78333903

  • Non-standard isotope - Non-standard isotope

More details:

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

1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[(1-oxohexadecyl-16,16,16-d3)oxy]-, inner salt [ACD/Index Name]
3-[(16,16,16-2H3)Hexadecanoyloxy]-4-(trimethylammonio)butanoat [German] [ACD/IUPAC Name]
3-[(16,16,16-2H3)Hexadecanoyloxy]-4-(trimethylammonio)butanoate [ACD/IUPAC Name]
3-[(16,16,16-2H3)Hexadecanoyloxy]-4-(triméthylammonio)butanoate [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: 5
#H bond donors: 1
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 216.37
ACD/KOC (pH 5.5): 2415.23
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 217.61
ACD/KOC (pH 7.4): 2429.02
Polar Surface Area: 66 Å2
Polarizability:
Surface Tension:
Molar Volume:

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