ChemSpider 2D Image | Dibenzyl (2S,4S)-4-sulfanyl-1,2-pyrrolidinedicarboxylate | C20H21NO4S

Dibenzyl (2S,4S)-4-sulfanyl-1,2-pyrrolidinedicarboxylate

  • Molecular FormulaC20H21NO4S
  • Average mass371.450 Da
  • Monoisotopic mass371.119141 Da
  • ChemSpider ID21373378

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4S)-4-Sulfanyl-1,2-pyrrolidinedicarboxylate de dibenzyle [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxylic acid, 4-mercapto-, bis(phenylmethyl) ester, (2S,4S)- [ACD/Index Name]
Dibenzyl (2S,4S)-4-sulfanyl-1,2-pyrrolidinedicarboxylate [ACD/IUPAC Name]
Dibenzyl (2S,4S)-4-sulfanylpyrrolidine-1,2-dicarboxylate
Dibenzyl-(2S,4S)-4-sulfanyl-1,2-pyrrolidindicarboxylat [German] [ACD/IUPAC Name]
(2S,4S)-1-N-Cbz-4-mercaptopyrrolidine-2-carboxylic
(2S,4S)-1-N-Cbz-4-mercaptopyrrolidine-2-carboxylic acid benzy ester
(2S,4S)-1-N-Cbz-4-mercaptopyrrolidine-2-carboxylic acid benzyl ester
(2S,4S)-1-N-Cbz-4-mercaptopyrrolidine-2-carboxylicacid benzy ester
(2S,4S)-4-Mercapto-pyrrolidine-1,2-dicarboxylic acid dibenzyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 515.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.8±3.0 kJ/mol
    Flash Point: 265.8±30.1 °C
    Index of Refraction: 1.620
    Molar Refractivity: 101.9±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.50
    ACD/LogD (pH 5.5): 3.75
    ACD/BCF (pH 5.5): 418.26
    ACD/KOC (pH 5.5): 2618.38
    ACD/LogD (pH 7.4): 3.75
    ACD/BCF (pH 7.4): 417.07
    ACD/KOC (pH 7.4): 2610.93
    Polar Surface Area: 95 Å2
    Polarizability: 40.4±0.5 10-24cm3
    Surface Tension: 56.3±5.0 dyne/cm
    Molar Volume: 290.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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