ChemSpider 2D Image | (2S,4S)-1-[(2S)-2-Methyl-3-sulfanylpropanoyl]-4-(phenylsulfanyl)-2-pyrrolidinecarboxylate | C15H18NO3S2

(2S,4S)-1-[(2S)-2-Methyl-3-sulfanylpropanoyl]-4-(phenylsulfanyl)-2-pyrrolidinecarboxylate

  • Molecular FormulaC15H18NO3S2
  • Average mass324.439 Da
  • Monoisotopic mass324.073364 Da
  • ChemSpider ID31150854

  • Charge - Charge

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,4S)-1-[(2S)-2-Methyl-3-sulfanylpropanoyl]-4-(phenylsulfanyl)-2-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
(2S,4S)-1-[(2S)-2-Methyl-3-sulfanylpropanoyl]-4-(phenylsulfanyl)-2-pyrrolidinecarboxylate [ACD/IUPAC Name]
(2S,4S)-1-[(2S)-2-Méthyl-3-sulfanylpropanoyl]-4-(phénylsulfanyl)-2-pyrrolidinecarboxylate [French] [ACD/IUPAC Name]
L-Proline, 1-[(2S)-3-mercapto-2-methyl-1-oxopropyl]-4-(phenylthio)-, ion(1-), (4S)- [ACD/Index Name]
(2S,4S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]-4-(phenylsulfanyl)pyrrolidine-2-carboxylate
zofenoprilat anion
zofenoprilat(1-)
  • Miscellaneous

    • Chemical Class:

      A monocarboxylic acid anion that is the conjugate base of zofenoprilat, obtained by deprotonation of the carboxy group. ChEBI CHEBI:82604

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

Density:
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:
Molar Refractivity:
#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: 125 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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