ChemSpider 2D Image | (4R)-1-[(2R)-2-Methyl-3-sulfanylpropanoyl]-4-[(~2~H_5_)phenylsulfanyl]-D-proline | C15H14D5NO3S2

(4R)-1-[(2R)-2-Methyl-3-sulfanylpropanoyl]-4-[(2H5)phenylsulfanyl]-D-proline

  • Molecular FormulaC15H14D5NO3S2
  • Average mass330.477 Da
  • Monoisotopic mass330.112030 Da
  • ChemSpider ID78076006

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(4R)-1-[(2R)-2-Methyl-3-sulfanylpropanoyl]-4-[(2H5)phenylsulfanyl]-D-prolin [German] [ACD/IUPAC Name]
(4R)-1-[(2R)-2-Methyl-3-sulfanylpropanoyl]-4-[(2H5)phenylsulfanyl]-D-proline [ACD/IUPAC Name]
(4R)-1-[(2R)-2-Méthyl-3-sulfanylpropanoyl]-4-[(2H5)phénylsulfanyl]-D-proline [French] [ACD/IUPAC Name]
D-Proline, 1-[(2R)-3-mercapto-2-methyl-1-oxopropyl]-4-(phenyl-d5-thio)-, (4R)- [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: 556.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 290.2±30.1 °C
Index of Refraction: 1.630
Molar Refractivity: 87.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.49
ACD/LogD (pH 7.4): -1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 247.0±5.0 cm3

Click to predict properties on the Chemicalize site


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