ChemSpider 2D Image | 1-[(2S)-2-Methyl-3-sulfanylpropanoyl]-D-(2,5,5-~2~H_3_)proline | C9H12D3NO3S

1-[(2S)-2-Methyl-3-sulfanylpropanoyl]-D-(2,5,5-2H3)proline

  • Molecular FormulaC9H12D3NO3S
  • Average mass220.304 Da
  • Monoisotopic mass220.096100 Da
  • ChemSpider ID60958693

  • 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

1-[(2S)-2-Methyl-3-sulfanylpropanoyl]-D-(2,5,5-2H3)prolin [German] [ACD/IUPAC Name]
1-[(2S)-2-Methyl-3-sulfanylpropanoyl]-D-(2,5,5-2H3)proline [ACD/IUPAC Name]
1-[(2S)-2-Méthyl-3-sulfanylpropanoyl]-D-(2,5,5-2H3)proline [French] [ACD/IUPAC Name]
D-Proline-2,5,5-d3, 1-[(2S)-3-mercapto-2-methyl-1-oxopropyl]- [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: 427.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±6.0 kJ/mol
Flash Point: 212.1±27.3 °C
Index of Refraction: 1.551
Molar Refractivity: 54.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.27
ACD/LogD (pH 5.5): -1.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 170.7±3.0 cm3

Click to predict properties on the Chemicalize site


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