ChemSpider 2D Image | O-[(9Z)-17-carboxyheptadec-9-enoyl]carnitine | C25H45NO6

O-[(9Z)-17-carboxyheptadec-9-enoyl]carnitine

  • Molecular FormulaC25H45NO6
  • Average mass455.628 Da
  • Monoisotopic mass455.324677 Da
  • ChemSpider ID28639201

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Propanaminium, 3-carboxy-2-[[(9Z)-17-carboxy-1-oxo-9-heptadecen-1-yl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
3-{[(9Z)-17-Carboxy-9-heptadecenoyl]oxy}-4-(trimethylammonio)butanoat [German] [ACD/IUPAC Name]
3-{[(9Z)-17-Carboxy-9-heptadecenoyl]oxy}-4-(trimethylammonio)butanoate [ACD/IUPAC Name]
3-{[(9Z)-17-Carboxy-9-heptadecenoyl]oxy}-4-(triméthylammonio)butanoate [French] [ACD/IUPAC Name]
O-[(9Z)-17-carboxyheptadec-9-enoyl]carnitine
3-{[(9Z)-17-carboxyheptadec-9-enoyl]oxy}-4-(trimethylammonio)butanoate
3-{[(9Z)-17-carboxyheptadec-9-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: 22
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 2.58
ACD/KOC (pH 5.5): 68.32
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.06
ACD/KOC (pH 7.4): 28.15
Polar Surface Area: 104 Å2
Polarizability:
Surface Tension:
Molar Volume:

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