ChemSpider 2D Image | (5Z)-13-carboxytridec-5-enoylcarnitine | C21H37NO6

(5Z)-13-carboxytridec-5-enoylcarnitine

  • Molecular FormulaC21H37NO6
  • Average mass399.522 Da
  • Monoisotopic mass399.262085 Da
  • ChemSpider ID28639185

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z)-13-carboxytridec-5-enoylcarnitine
1-Propanaminium, 3-carboxy-2-[[(5Z)-13-carboxy-1-oxo-5-tridecen-1-yl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
3-{[(5Z)-13-Carboxy-5-tridecenoyl]oxy}-4-(trimethylammonio)butanoat [German] [ACD/IUPAC Name]
3-{[(5Z)-13-Carboxy-5-tridecenoyl]oxy}-4-(trimethylammonio)butanoate [ACD/IUPAC Name]
3-{[(5Z)-13-Carboxy-5-tridecenoyl]oxy}-4-(triméthylammonio)butanoate [French] [ACD/IUPAC Name]
3-{[(5Z)-13-carboxytridec-5-enoyl]oxy}-4-(trimethylammonio)butanoate
3-{[(5Z)-13-carboxytridec-5-enoyl]oxy}-4-(trimethylazaniumyl)butanoate

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: 18
#Rule of 5 Violations: 0
ACD/LogP: -0.27
ACD/LogD (pH 5.5): -0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.69
ACD/LogD (pH 7.4): -1.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.58
Polar Surface Area: 104 Å2
Polarizability:
Surface Tension:
Molar Volume:

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