ChemSpider 2D Image | (3S,4E,6E)-3-Hydroxy-3-[(trimethylammonio)methyl]-4,6-henicosadienoate | C25H47NO3

(3S,4E,6E)-3-Hydroxy-3-[(trimethylammonio)methyl]-4,6-henicosadienoate

  • Molecular FormulaC25H47NO3
  • Average mass409.646 Da
  • Monoisotopic mass409.355591 Da
  • ChemSpider ID67492366

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S,4E,6E)-3-Hydroxy-3-[(trimethylammonio)methyl]-4,6-henicosadienoat [German] [ACD/IUPAC Name]
(3S,4E,6E)-3-Hydroxy-3-[(trimethylammonio)methyl]-4,6-henicosadienoate [ACD/IUPAC Name]
(3S,4E,6E)-3-Hydroxy-3-[(triméthylammonio)méthyl]-4,6-hénicosadiénoate [French] [ACD/IUPAC Name]
3,5-Eicosadien-1-aminium, 2-(carboxymethyl)-2-hydroxy-N,N,N-trimethyl-, inner salt, (2S,3E,5E)- [ACD/Index Name]
Octadecadienyl-L-carnitine

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: 4
#H bond donors: 2
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 0
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 443.43
ACD/KOC (pH 5.5): 4035.49
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 446.33
ACD/KOC (pH 7.4): 4061.91
Polar Surface Area: 60 Å2
Polarizability:
Surface Tension:
Molar Volume:

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