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Search term: QVHZTNDYZCMLFE-SNPRPXQTSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (5S)-1-[(2S)-2-Methyl-3-sulfanylpropanoyl]-5-[(2-phenylethyl)sulfanyl]-L-proline | C17H23NO3S2

(5S)-1-[(2S)-2-Methyl-3-sulfanylpropanoyl]-5-[(2-phenylethyl)sulfanyl]-L-proline

  • Molecular FormulaC17H23NO3S2
  • Average mass353.499 Da
  • Monoisotopic mass353.111938 Da
  • ChemSpider ID24720727

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5S)-1-[(2S)-2-Methyl-3-sulfanylpropanoyl]-5-[(2-phenylethyl)sulfanyl]-L-prolin [German] [ACD/IUPAC Name]
(5S)-1-[(2S)-2-Methyl-3-sulfanylpropanoyl]-5-[(2-phenylethyl)sulfanyl]-L-proline [ACD/IUPAC Name]
(5S)-1-[(2S)-2-Méthyl-3-sulfanylpropanoyl]-5-[(2-phényléthyl)sulfanyl]-L-proline [French] [ACD/IUPAC Name]
L-Proline, 1-[(2S)-3-mercapto-2-methyl-1-oxopropyl]-5-[(2-phenylethyl)thio]-, (5S)- [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: 585.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 307.9±30.1 °C
Index of Refraction: 1.612
Molar Refractivity: 97.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 1.28
ACD/KOC (pH 5.5): 10.46
ACD/LogD (pH 7.4): -0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 279.5±5.0 cm3

Click to predict properties on the Chemicalize site


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