ChemSpider 2D Image | (2S)-2-Amino-4-[2-amino(3,5-~2~H_2_)phenyl]-4-oxo(3,3-~2~H_2_)butanoic acid | C10H8D4N2O3

(2S)-2-Amino-4-[2-amino(3,5-2H2)phenyl]-4-oxo(3,3-2H2)butanoic acid

  • Molecular FormulaC10H8D4N2O3
  • Average mass212.238 Da
  • Monoisotopic mass212.109894 Da
  • ChemSpider ID107450181
  • 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-Amino-4-[2-amino(3,5-2H2)phenyl]-4-oxo(3,3-2H2)butanoic acid [ACD/IUPAC Name]
(2S)-2-Amino-4-[2-amino(3,5-2H2)phenyl]-4-oxo(3,3-2H2)butansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-amino-4-[2-amino(3,5-2H2)phényl]-4-oxo(3,3-2H2)butanoïque [French] [ACD/IUPAC Name]
Benzene-3,5-d2-butanoic-β,β-d2 acid, α,2-diamino-γ-oxo-, (αS)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 466.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.7±3.0 kJ/mol
Flash Point: 236.0±28.7 °C
Index of Refraction: 1.626
Molar Refractivity: 54.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.09
ACD/LogD (pH 5.5): -2.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 106 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 68.7±3.0 dyne/cm
Molar Volume: 154.9±3.0 cm3

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