ChemSpider 2D Image | Allyl (2S,4S)-2-({[(allyloxy)carbonyl](sulfamoyl)amino}methyl)-4-sulfanyl-1-pyrrolidinecarboxylate | C13H21N3O6S2

Allyl (2S,4S)-2-({[(allyloxy)carbonyl](sulfamoyl)amino}methyl)-4-sulfanyl-1-pyrrolidinecarboxylate

  • Molecular FormulaC13H21N3O6S2
  • Average mass379.452 Da
  • Monoisotopic mass379.087189 Da
  • ChemSpider ID29212233

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4S)-2-({[(Allyloxy)carbonyl](sulfamoyl)amino}méthyl)-4-sulfanyl-1-pyrrolidinecarboxylate d'allyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 2-[[(aminosulfonyl)[(2-propen-1-yloxy)carbonyl]amino]methyl]-4-mercapto-, 2-propen-1-yl ester, (2S,4S)- [ACD/Index Name]
Allyl (2S,4S)-2-({[(allyloxy)carbonyl](sulfamoyl)amino}methyl)-4-sulfanyl-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
Allyl-(2S,4S)-2-({[(allyloxy)carbonyl](sulfamoyl)amino}methyl)-4-sulfanyl-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
(2s,4s)-allyl 2-((((allyloxy)carbonyl)(sulfamoyl)amino)methyl)-4-mercaptopyrrolidine-1-carboxylate
(2S,4S)allyl 2-(((allyloxycarbonyl)(sulfamoyl)amino)methyl)-4-mercaptopyrrolidine-1-carboxylate
(2S,4S)-allyl 2-(((allyloxycarbonyl)(sulfamoyl)amino)methyl)-4-mercaptopyrrolidine-1-carboxylate
148017-51-0 [RN]
CS-13675
MFCD18642751

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 519.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 79.2±3.0 kJ/mol
    Flash Point: 267.8±32.9 °C
    Index of Refraction: 1.585
    Molar Refractivity: 91.5±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 0.11
    ACD/LogD (pH 5.5): 0.73
    ACD/BCF (pH 5.5): 2.10
    ACD/KOC (pH 5.5): 59.15
    ACD/LogD (pH 7.4): 0.72
    ACD/BCF (pH 7.4): 2.09
    ACD/KOC (pH 7.4): 58.90
    Polar Surface Area: 166 Å2
    Polarizability: 36.3±0.5 10-24cm3
    Surface Tension: 60.7±5.0 dyne/cm
    Molar Volume: 272.9±5.0 cm3

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