ChemSpider 2D Image | (4S)-4-{[(11Z)-3-Hydroxy-11-octadecenoyl]oxy}-4-(trimethylammonio)butanoate | C25H47NO5

(4S)-4-{[(11Z)-3-Hydroxy-11-octadecenoyl]oxy}-4-(trimethylammonio)butanoate

  • Molecular FormulaC25H47NO5
  • Average mass441.644 Da
  • Monoisotopic mass441.345428 Da
  • ChemSpider ID35032597

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(4S)-4-{[(11Z)-3-Hydroxy-11-octadecenoyl]oxy}-4-(trimethylammonio)butanoat [German] [ACD/IUPAC Name]
(4S)-4-{[(11Z)-3-Hydroxy-11-octadecenoyl]oxy}-4-(trimethylammonio)butanoate [ACD/IUPAC Name]
(4S)-4-{[(11Z)-3-Hydroxy-11-octadecenoyl]oxy}-4-(triméthylammonio)butanoate [French] [ACD/IUPAC Name]
1-Propanaminium, 3-carboxy-1-[[(11Z)-3-hydroxy-1-oxo-11-octadecen-1-yl]oxy]-N,N,N-trimethyl-, inner salt, (1S)- [ACD/Index Name]
(4S)-4-{[(11Z)-3-hydroxyoctadec-11-enoyl]oxy}-4-(trimethylaminio)butanoate
(4S)-4-{[(11Z)-3-HYDROXYOCTADEC-11-ENOYL]OXY}-4-(TRIMETHYLAMMONIO)BUTANOATE
(4S)-4-{[(11Z)-3-hydroxyoctadec-11-enoyl]oxy}-4-(trimethylazaniumyl)butanoate
3-Hydroxy-11(Z)-octadecenoylcarnitine
3-Hydroxy-11Z-octadecenoylcarnitine
3-Hydroxyoctadecenoylcarnitine
More...

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: 21
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 16.33
ACD/KOC (pH 5.5): 378.72
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 16.60
ACD/KOC (pH 7.4): 385.06
Polar Surface Area: 87 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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