ChemSpider 2D Image | (3S)-3-Hydroxy-4-{tris[(~2~H_3_)methyl]ammonio}butanoate | C7H6D9NO3

(3S)-3-Hydroxy-4-{tris[(2H3)methyl]ammonio}butanoate

  • Molecular FormulaC7H6D9NO3
  • Average mass170.254 Da
  • Monoisotopic mass170.161682 Da
  • ChemSpider ID111313401

  • 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-Hydroxy-4-{tris[(2H3)methyl]ammonio}butanoat [German] [ACD/IUPAC Name]
(3S)-3-Hydroxy-4-{tris[(2H3)methyl]ammonio}butanoate [ACD/IUPAC Name]
(3S)-3-Hydroxy-4-{tris[(2H3)méthyl]ammonio}butanoate [French] [ACD/IUPAC Name]
1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-tri(methyl-d3)-, 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: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -4.52
ACD/LogD (pH 5.5): -3.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 60 Å2
Polarizability:
Surface Tension:
Molar Volume:

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