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

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

  • Molecular FormulaC25H47NO4
  • Average mass425.645 Da
  • Monoisotopic mass425.350494 Da
  • ChemSpider ID30776574

  • 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

(4S)-4-[(11E)-11-Octadecenoyloxy]-4-(trimethylammonio)butanoat [German] [ACD/IUPAC Name]
(4S)-4-[(11E)-11-Octadecenoyloxy]-4-(trimethylammonio)butanoate [ACD/IUPAC Name]
(4S)-4-[(11E)-11-Octadecenoyloxy]-4-(triméthylammonio)butanoate [French] [ACD/IUPAC Name]
1-Propanaminium, 3-carboxy-N,N,N-trimethyl-1-[[(11E)-1-oxo-11-octadecen-1-yl]oxy]-, inner salt, (1S)- [ACD/Index Name]
(4S)-4-[(11E)-octadec-11-enoyloxy]-4-(trimethylaminio)butanoate
(4S)-4-[(11E)-OCTADEC-11-ENOYLOXY]-4-(TRIMETHYLAMMONIO)BUTANOATE
(4S)-4-[(11E)-octadec-11-enoyloxy]-4-(trimethylazaniumyl)butanoate
acylcarnitine C18:1
R-(11E Octadecenoyl) carnitine
Vaccenyl carnitine

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

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: 4.56
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 124.42
ACD/KOC (pH 5.5): 1620.09
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 126.53
ACD/KOC (pH 7.4): 1647.61
Polar Surface Area: 66 Å2
Polarizability:
Surface Tension:
Molar Volume:

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