ChemSpider 2D Image | (2S)-3-[3,4-Dihydroxy(~2~H_3_)phenyl]-2-hydrazino-2-(~2~H_3_)methylpropanoic acid | C10H8D6N2O4

(2S)-3-[3,4-Dihydroxy(2H3)phenyl]-2-hydrazino-2-(2H3)methylpropanoic acid

  • Molecular FormulaC10H8D6N2O4
  • Average mass232.266 Da
  • Monoisotopic mass232.133011 Da
  • ChemSpider ID107449720

  • 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-Dihydroxy(2H3)phenyl]-2-hydrazino-2-(2H3)methylpropanoic acid [ACD/IUPAC Name]
(2S)-3-[3,4-Dihydroxy(2H3)phenyl]-2-hydrazino-2-(2H3)methylpropansäure [German] [ACD/IUPAC Name]
Acide (2S)-3-[3,4-dihydroxy(2H3)phényl]-2-hydrazino-2-(2H3)méthylpropanoïque [French] [ACD/IUPAC Name]
Benzene-2,3,6-d3-propanoic acid, α-hydrazinyl-4,5-dihydroxy-α-(methyl-d3)-, (αS)- [ACD/Index Name]

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

Click to predict properties on the Chemicalize site


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