ChemSpider 2D Image | (9E)-octadec-9-enoylcarnitine | C25H47NO4

(9E)-octadec-9-enoylcarnitine

  • Molecular FormulaC25H47NO4
  • Average mass425.645 Da
  • Monoisotopic mass425.350494 Da
  • ChemSpider ID34999875

  • Double-bond stereo - Double-bond stereo

More details:

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

(9E)-octadec-9-enoylcarnitine
1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[[(9E)-1-oxo-9-octadecen-1-yl]oxy]-, inner salt [ACD/Index Name]
3-[(9E)-9-Octadecenoyloxy]-4-(trimethylammonio)butanoat [German] [ACD/IUPAC Name]
3-[(9E)-9-Octadecenoyloxy]-4-(trimethylammonio)butanoate [ACD/IUPAC Name]
3-[(9E)-9-Octadecenoyloxy]-4-(triméthylammonio)butanoate [French] [ACD/IUPAC Name]
13962-05-5 [RN]
3-(octadec-9-enoyloxy)-4-(trimethylazaniumyl)butanoate
3-[(9E)-octadec-9-enoyloxy]-4-(trimethylaminio)butanoate
3-[(9E)-OCTADEC-9-ENOYLOXY]-4-(TRIMETHYLAZANIUMYL)BUTANOATE
3-{[(9E)-octadec-9-enoyl]oxy}-4-(trimethylazaniumyl)butanoate
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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: 3.83
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 693.47
ACD/KOC (pH 5.5): 5559.35
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 697.43
ACD/KOC (pH 7.4): 5591.09
Polar Surface Area: 66 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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