ChemSpider 2D Image | (2S)-2-{Dimethyl[(~2~H_3_)methyl]ammonio}-3-(2-thioxo-2,3-dihydro-1H-imidazol-4-yl)propanoate | C9H12D3N3O2S

(2S)-2-{Dimethyl[(2H3)methyl]ammonio}-3-(2-thioxo-2,3-dihydro-1H-imidazol-4-yl)propanoate

  • Molecular FormulaC9H12D3N3O2S
  • Average mass232.318 Da
  • Monoisotopic mass232.107330 Da
  • ChemSpider ID48061707

  • 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

(2S)-2-{Dimethyl[(2H3)methyl]ammonio}-3-(2-thioxo-2,3-dihydro-1H-imidazol-4-yl)propanoat [German] [ACD/IUPAC Name]
(2S)-2-{Dimethyl[(2H3)methyl]ammonio}-3-(2-thioxo-2,3-dihydro-1H-imidazol-4-yl)propanoate [ACD/IUPAC Name]
(2S)-2-{Diméthyl[(2H3)méthyl]ammonio}-3-(2-thioxo-2,3-dihydro-1H-imidazol-4-yl)propanoate [French] [ACD/IUPAC Name]
1H-Imidazole-4-ethanaminium, α-carboxy-2,3-dihydro-N,N-dimethyl-N-(methyl-d3)-2-thioxo-, inner salt, (αS)- [ACD/Index Name]
(2S)-2-[dimethyl(trideuteriomethyl)azaniumyl]-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoate
1356933-89-5 [RN]
l-(+)-ergothioneine-d3

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density:
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
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    Index of Refraction:
    Molar Refractivity:
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -3.07
    ACD/LogD (pH 5.5): -3.16
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.16
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 96 Å2
    Polarizability:
    Surface Tension:
    Molar Volume:

    Click to predict properties on the Chemicalize site


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