ChemSpider 2D Image | 3-{[(2E)-13-Carboxy-5-hydroxy-2-tridecenoyl]oxy}-4-(trimethylammonio)butanoate | C21H37NO7

3-{[(2E)-13-Carboxy-5-hydroxy-2-tridecenoyl]oxy}-4-(trimethylammonio)butanoate

  • Molecular FormulaC21H37NO7
  • Average mass415.521 Da
  • Monoisotopic mass415.256989 Da
  • ChemSpider ID128529770

More details:

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

1-Propanaminium, 3-carboxy-2-[[(2E)-13-carboxy-5-hydroxy-1-oxo-2-tridecen-1-yl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
3-{[(2E)-13-Carboxy-5-hydroxy-2-tridecenoyl]oxy}-4-(trimethylammonio)butanoat [German] [ACD/IUPAC Name]
3-{[(2E)-13-Carboxy-5-hydroxy-2-tridecenoyl]oxy}-4-(trimethylammonio)butanoate [ACD/IUPAC Name]
3-{[(2E)-13-Carboxy-5-hydroxy-2-tridecenoyl]oxy}-4-(triméthylammonio)butanoate [French] [ACD/IUPAC Name]

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: 8
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 0
ACD/LogP: -1.84
ACD/LogD (pH 5.5): -2.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.49
ACD/LogD (pH 7.4): -2.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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