ChemSpider 2D Image | (3S)-3-[(11E)-11-Octadecenoyloxy]-4-(trimethylammonio)butanoate | C25H47NO4

(3S)-3-[(11E)-11-Octadecenoyloxy]-4-(trimethylammonio)butanoate

  • Molecular FormulaC25H47NO4
  • Average mass425.645 Da
  • Monoisotopic mass425.350494 Da
  • ChemSpider ID64808356

  • 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)-3-[(11E)-11-Octadecenoyloxy]-4-(trimethylammonio)butanoat [German] [ACD/IUPAC Name]
(3S)-3-[(11E)-11-Octadecenoyloxy]-4-(trimethylammonio)butanoate [ACD/IUPAC Name]
(3S)-3-[(11E)-11-Octadecenoyloxy]-4-(triméthylammonio)butanoate [French] [ACD/IUPAC Name]
1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[[(11E)-1-oxo-11-octadecen-1-yl]oxy]-, inner salt, (2S)- [ACD/Index Name]
(3S)-3-{[(11E)-octadec-11-enoyl]oxy}-4-(trimethylazaniumyl)butanoate
O-(trans-vaccenoyl)-D-carnitine
O-[(11E)-octadecenoyl]-D-carnitine
O-[(E)-vaccenoyl]-D-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: 5
#H bond donors: 1
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 69.89
ACD/KOC (pH 5.5): 1075.65
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 70.29
ACD/KOC (pH 7.4): 1081.79
Polar Surface Area: 66 Å2
Polarizability:
Surface Tension:
Molar Volume:

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