ChemSpider 2D Image | 3-[(4E,7E,10E,13E,16E,19E)-4,7,10,13,16,19-Docosahexaenoyloxy]-4-(trimethylammonio)butanoate | C29H45NO4

3-[(4E,7E,10E,13E,16E,19E)-4,7,10,13,16,19-Docosahexaenoyloxy]-4-(trimethylammonio)butanoate

  • Molecular FormulaC29H45NO4
  • Average mass471.672 Da
  • Monoisotopic mass471.334869 Da
  • ChemSpider ID24765758

  • 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,19E)-1-oxo-4,7,10,13,16,19-docosahexaen-1-yl]oxy]-, inner salt [ACD/Index Name]
3-[(4E,7E,10E,13E,16E,19E)-4,7,10,13,16,19-Docosahexaenoyloxy]-4-(trimethylammonio)butanoat [German] [ACD/IUPAC Name]
3-[(4E,7E,10E,13E,16E,19E)-4,7,10,13,16,19-Docosahexaenoyloxy]-4-(trimethylammonio)butanoate [ACD/IUPAC Name]
3-[(4E,7E,10E,13E,16E,19E)-4,7,10,13,16,19-Docosahexaenoyloxy]-4-(triméthylammonio)butanoate [French] [ACD/IUPAC Name]
3-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyloxy]-4-(trimethylaminio)butanoate
3-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyloxy]-4-(trimethylazaniumyl)butanoate
Cervonyl 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: 20
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 47.92
ACD/KOC (pH 5.5): 821.06
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 48.19
ACD/KOC (pH 7.4): 825.68
Polar Surface Area: 66 Å2
Polarizability:
Surface Tension:
Molar Volume:

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