ChemSpider 2D Image | O-fumarylcarnitine | C11H17NO6

O-fumarylcarnitine

  • Molecular FormulaC11H17NO6
  • Average mass259.256 Da
  • Monoisotopic mass259.105591 Da
  • ChemSpider ID21498506

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Propanaminium, 3-carboxy-2-[[(2E)-3-carboxy-1-oxo-2-propen-1-yl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
3-{[(2E)-3-Carboxy-2-propenoyl]oxy}-4-(trimethylammonio)butanoat [German] [ACD/IUPAC Name]
3-{[(2E)-3-Carboxy-2-propenoyl]oxy}-4-(trimethylammonio)butanoate [ACD/IUPAC Name]
3-{[(2E)-3-Carboxy-2-propenoyl]oxy}-4-(triméthylammonio)butanoate [French] [ACD/IUPAC Name]
3-{[(2E)-3-Carboxyprop-2-enoyl]oxy}-4-(trimethylammonio)butanoate
O-fumarylcarnitine
(2E)-3-({2-carboxy-1-[(trimethylamino)methyl]ethyl}oxycarbonyl)prop-2-enoic acid
(E)-3-((3-carboxyacryloyl)oxy)-4-(trimethylammonio)butanoate
[90471-79-7] [RN]
3-{[(2E)-3-carboxyprop-2-enoyl]oxy}-4-(trimethylazaniumyl)butanoate
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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: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -4.91
ACD/LogD (pH 5.5): -4.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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