ChemSpider 2D Image | 2-Amino-4-[2-amino-3-hydroxy(5-~2~H)phenyl]-4-oxo(3,3-~2~H_2_)butanoic acid | C10H9D3N2O4

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

  • Molecular FormulaC10H9D3N2O4
  • Average mass227.232 Da
  • Monoisotopic mass227.098541 Da
  • ChemSpider ID115006476

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Amino-4-[2-amino-3-hydroxy(5-2H)phenyl]-4-oxo(3,3-2H2)butanoic acid [ACD/IUPAC Name]
2-Amino-4-[2-amino-3-hydroxy(5-2H)phenyl]-4-oxo(3,3-2H2)butansäure [German] [ACD/IUPAC Name]
Acide 2-amino-4-[2-amino-3-hydroxy(5-2H)phényl]-4-oxo(3,3-2H2)butanoïque [French] [ACD/IUPAC Name]
Benzene-3-d-butanoic-β,β-d2 acid, α,6-diamino-5-hydroxy-γ-oxo- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 519.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 267.9±30.1 °C
Index of Refraction: 1.662
Molar Refractivity: 56.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.05
ACD/LogD (pH 5.5): -2.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 81.7±3.0 dyne/cm
Molar Volume: 153.4±3.0 cm3

Click to predict properties on the Chemicalize site


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