ChemSpider 2D Image | 3-[(12-Hydroxyoctadecanoyl)oxy]-4-(trimethylammonio)butanoate | C25H49NO5

3-[(12-Hydroxyoctadecanoyl)oxy]-4-(trimethylammonio)butanoate

  • Molecular FormulaC25H49NO5
  • Average mass443.660 Da
  • Monoisotopic mass443.361084 Da
  • ChemSpider ID35032583

More details:

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

1-Propanaminium, 3-carboxy-2-[(12-hydroxy-1-oxooctadecyl)oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
3-[(12-Hydroxyoctadecanoyl)oxy]-4-(trimethylammonio)butanoat [German] [ACD/IUPAC Name]
3-[(12-Hydroxyoctadecanoyl)oxy]-4-(trimethylammonio)butanoate [ACD/IUPAC Name]
3-[(12-Hydroxyoctadecanoyl)oxy]-4-(triméthylammonio)butanoate [French] [ACD/IUPAC Name]
12-Hydroxy-12-octadecanoylcarnitine
3-[(12-hydroxyoctadecanoyl)oxy]-4-(trimethylaminio)butanoate
3-[(12-hydroxyoctadecanoyl)oxy]-4-(trimethylazaniumyl)butanoate

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: 6
#H bond donors: 2
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 0
ACD/LogP: 2.16
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 17.10
ACD/KOC (pH 5.5): 392.73
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 17.20
ACD/KOC (pH 7.4): 394.97
Polar Surface Area: 87 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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