ChemSpider 2D Image | (2S)-2-(4,5-Dimethyl-3-oxido-1H-imidazol-1-yl)pentanedioic acid | C10H14N2O5

(2S)-2-(4,5-Dimethyl-3-oxido-1H-imidazol-1-yl)pentanedioic acid

  • Molecular FormulaC10H14N2O5
  • Average mass242.229 Da
  • Monoisotopic mass242.090271 Da
  • ChemSpider ID21830422

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(4,5-Dimethyl-3-oxido-1H-imidazol-1-yl)pentandisäure [German] [ACD/IUPAC Name]
(2S)-2-(4,5-Dimethyl-3-oxido-1H-imidazol-1-yl)pentanedioic acid [ACD/IUPAC Name]
Acide (2S)-2-(4,5-diméthyl-3-oxydo-1H-imidazol-1-yl)pentanedioïque [French] [ACD/IUPAC Name]
Pentanedioic acid, 2-(4,5-dimethyl-3-oxido-1H-imidazol-1-yl)-, (2S)- [ACD/Index Name]
(2S)-2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)pentanedioic acid
(2S)-2-(4,5-dimethyl-3-oxido-imidazol-3-ium-1-yl)pentanedioic acid
(S)-1-(1,3-dicarboxypropyl)-4,5-dimethyl-1H-imidazole 3-oxide
(S)-2-(4,5-Dimethyl-3-oxy-imidazol-1-yl)-pentanedioic acid
1-[(1S)-1,3-dicarboxypropyl]-4,5-dimethyl-1H-imidazol-3-ium-3-olate
126264-03-7 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 511.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 82.4±3.0 kJ/mol
    Flash Point: 263.2±32.9 °C
    Index of Refraction: 1.591
    Molar Refractivity: 57.9±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: -2.19
    ACD/LogD (pH 5.5): -3.56
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -5.59
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 105 Å2
    Polarizability: 22.9±0.5 10-24cm3
    Surface Tension: 55.2±7.0 dyne/cm
    Molar Volume: 171.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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