ChemSpider 2D Image | N-[(2-~2~H_1_)Ethanoyl]-L-(N-~2~H)alanyl-L-alanine | C8H12D2N2O4

N-[(2-2H1)Ethanoyl]-L-(N-2H)alanyl-L-alanine

  • Molecular FormulaC8H12D2N2O4
  • Average mass204.220 Da
  • Monoisotopic mass204.107910 Da
  • ChemSpider ID67178392

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

L-Alanine, N-(1-oxoethyl-2-d)-L-alanyl-N-d- [ACD/Index Name]
N-[(2-2H1)Ethanoyl]-L-(N-2H)alanyl-L-alanin [German] [ACD/IUPAC Name]
N-[(2-2H1)Ethanoyl]-L-(N-2H)alanyl-L-alanine [ACD/IUPAC Name]
N-[(2-2H1)Éthanoyl]-L-(N-2H)alanyl-L-alanine [French] [ACD/IUPAC Name]
N-Acetyl-D-alanyl-D-alanine [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 543.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 89.9±6.0 kJ/mol
Flash Point: 282.5±25.9 °C
Index of Refraction: 1.482
Molar Refractivity: 47.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.91
ACD/LogD (pH 5.5): -3.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 167.8±3.0 cm3

Click to predict properties on the Chemicalize site


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