ChemSpider 2D Image | 3-[(4E,7E,10E,13E,16E)-4,7,10,13,16-Docosapentaenoyloxy]-4-(trimethylammonio)butanoate | C29H47NO4

3-[(4E,7E,10E,13E,16E)-4,7,10,13,16-Docosapentaenoyloxy]-4-(trimethylammonio)butanoate

  • Molecular FormulaC29H47NO4
  • Average mass473.688 Da
  • Monoisotopic mass473.350494 Da
  • ChemSpider ID35015990

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[[(4E,7E,10E,13E,16E)-1-oxo-4,7,10,13,16-docosapentaen-1-yl]oxy]-, inner salt [ACD/Index Name]
3-[(4E,7E,10E,13E,16E)-4,7,10,13,16-Docosapentaenoyloxy]-4-(trimethylammonio)butanoat [German] [ACD/IUPAC Name]
3-[(4E,7E,10E,13E,16E)-4,7,10,13,16-Docosapentaenoyloxy]-4-(trimethylammonio)butanoate [ACD/IUPAC Name]
3-[(4E,7E,10E,13E,16E)-4,7,10,13,16-Docosapentaenoyloxy]-4-(triméthylammonio)butanoate [French] [ACD/IUPAC Name]
(4E,7E,10E,13E,16E)-docosapentaenoylcarnitine
3-(docosa-4,7,10,13,16-pentaenoyloxy)-4-(trimethylazaniumyl)butanoate
3-[(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyloxy]-4-(trimethylaminio)butanoate
3-[(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyloxy]-4-(trimethylazaniumyl)butanoate
3-{[(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyl]oxy}-4-(trimethylazaniumyl)butanoate
Adrenyl carnitine
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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: 3.59
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 163.14
ACD/KOC (pH 5.5): 1973.26
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 164.06
ACD/KOC (pH 7.4): 1984.36
Polar Surface Area: 66 Å2
Polarizability:
Surface Tension:
Molar Volume:

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