ChemSpider 2D Image | 3-[(4E,8E,12E,15E,19E)-4,8,12,15,19-Docosapentaenoyloxy]-4-(trimethylammonio)butanoate | C29H47NO4

3-[(4E,8E,12E,15E,19E)-4,8,12,15,19-Docosapentaenoyloxy]-4-(trimethylammonio)butanoate

  • Molecular FormulaC29H47NO4
  • Average mass473.688 Da
  • Monoisotopic mass473.350494 Da
  • ChemSpider ID35015995

  • 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,8E,12E,15E,19E)-1-oxo-4,8,12,15,19-docosapentaen-1-yl]oxy]-, inner salt [ACD/Index Name]
3-[(4E,8E,12E,15E,19E)-4,8,12,15,19-Docosapentaenoyloxy]-4-(trimethylammonio)butanoat [German] [ACD/IUPAC Name]
3-[(4E,8E,12E,15E,19E)-4,8,12,15,19-Docosapentaenoyloxy]-4-(trimethylammonio)butanoate [ACD/IUPAC Name]
3-[(4E,8E,12E,15E,19E)-4,8,12,15,19-Docosapentaenoyloxy]-4-(triméthylammonio)butanoate [French] [ACD/IUPAC Name]
(4E,7E,10E,13E,16E,19E)-docosahexaenoylcarnitine
3-[(4E,8E,12E,15E,19E)-docosa-4,8,12,15,19-pentaenoyloxy]-4-(trimethylaminio)butanoate
3-[(4E,8E,12E,15E,19E)-docosa-4,8,12,15,19-pentaenoyloxy]-4-(trimethylazaniumyl)butanoate
3-{[(4E,7E,10E,13E,16E,19E)-docosa-4,8,12,15,19-pentaenoyl]oxy}-4-(trimethylazaniumyl)butanoate
Clupanodonyl carnitine

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: 3.70
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 124.00
ACD/KOC (pH 5.5): 1621.50
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 124.70
ACD/KOC (pH 7.4): 1630.63
Polar Surface Area: 66 Å2
Polarizability:
Surface Tension:
Molar Volume:

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