ChemSpider 2D Image | (3S)-3-{[2-Methyl(3,3,3-~2~H_3_)propanoyl]oxy}-4-(trimethylammonio)butanoate | C11H18D3NO4

(3S)-3-{[2-Methyl(3,3,3-2H3)propanoyl]oxy}-4-(trimethylammonio)butanoate

  • Molecular FormulaC11H18D3NO4
  • Average mass234.307 Da
  • Monoisotopic mass234.165894 Da
  • ChemSpider ID111310674

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3S)-3-{[2-Methyl(3,3,3-2H3)propanoyl]oxy}-4-(trimethylammonio)butanoat [German] [ACD/IUPAC Name]
(3S)-3-{[2-Methyl(3,3,3-2H3)propanoyl]oxy}-4-(trimethylammonio)butanoate [ACD/IUPAC Name]
(3S)-3-{[2-Méthyl(3,3,3-2H3)propanoyl]oxy}-4-(triméthylammonio)butanoate [French] [ACD/IUPAC Name]
1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[(2-methyl-1-oxopropyl-3,3,3-d3)oxy]-, inner salt, (2S)- [ACD/Index 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: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -3.27
ACD/LogD (pH 5.5): -2.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.84
ACD/LogD (pH 7.4): -2.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.85
Polar Surface Area: 66 Å2
Polarizability:
Surface Tension:
Molar Volume:

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