ChemSpider 2D Image | (2S)-3-(3,4-Dihydroxyphenyl)-2-hydrazino-2-(~2~H_3_)methyl(~2~H_2_)propanoic acid | C10H9D5N2O4

(2S)-3-(3,4-Dihydroxyphenyl)-2-hydrazino-2-(2H3)methyl(2H2)propanoic acid

  • Molecular FormulaC10H9D5N2O4
  • Average mass231.260 Da
  • Monoisotopic mass231.126740 Da
  • ChemSpider ID48057476

  • 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)-3-(3,4-Dihydroxyphenyl)-2-hydrazino-2-(2H3)methyl(2H2)propanoic acid [ACD/IUPAC Name]
(2S)-3-(3,4-Dihydroxyphenyl)-2-hydrazino-2-(2H3)methyl(2H2)propansäure [German] [ACD/IUPAC Name]
Acide (2S)-3-(3,4-dihydroxyphényl)-2-hydrazino-2-(2H3)méthyl(2H2)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic-d2 acid, α-hydrazinyl-3,4-dihydroxy-α-(methyl-d3)-, (αS)- [ACD/Index Name]
(S)-(-)-Carbidopa-d5
1426174-03-9 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 528.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.6±3.0 kJ/mol
    Flash Point: 273.5±30.1 °C
    Index of Refraction: 1.641
    Molar Refractivity: 57.5±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 6
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: -0.19
    ACD/LogD (pH 5.5): -2.35
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.58
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 116 Å2
    Polarizability: 22.8±0.5 10-24cm3
    Surface Tension: 74.1±3.0 dyne/cm
    Molar Volume: 159.3±3.0 cm3

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