ChemSpider 2D Image | (betaR)-N-Acetyl-D-(alpha,beta-~2~H_2_)tryptophan | C13H12D2N2O3

(βR)-N-Acetyl-D-(α,β-2H2)tryptophan

  • Molecular FormulaC13H12D2N2O3
  • Average mass248.274 Da
  • Monoisotopic mass248.112991 Da
  • ChemSpider ID9207390

  • 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

(βR)-N-Acetyl-D-(α,β-2H2)tryptophan [ACD/IUPAC Name]
(βR)-N-Acetyl-D-(α,β-2H2)tryptophan [German] [ACD/IUPAC Name]
(βR)-N-Acétyl-D-(α,β-2H2)tryptophane [French] [ACD/IUPAC Name]
D-Tryptophan-α,β-d2, N-acetyl-, (βR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 586.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 308.6±28.7 °C
Index of Refraction: 1.645
Molar Refractivity: 67.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.70
ACD/LogD (pH 5.5): -1.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 82 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 61.7±3.0 dyne/cm
Molar Volume: 185.1±3.0 cm3

Click to predict properties on the Chemicalize site


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