Found 1 result

Search term: 491878-06-9 (Found by approved synonym)
ChemSpider 2D Image | ASPC | C20H28N4O9S2

ASPC

  • Molecular FormulaC20H28N4O9S2
  • Average mass532.588 Da
  • Monoisotopic mass532.129761 Da
  • ChemSpider ID23351213

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4S)-4-(Acétylsulfanyl)-2-{[{[(2-méthyl-2-propanyl)oxy]carbonyl}(sulfamoyl)amino]méthyl}-1-pyrrolidinecarboxylate de 4-nitrobenzyle [French] [ACD/IUPAC Name]
(4-Nitrophenyl)methyl (2S,4S)-4-(acetylthio)-2-[[(aminosulfonyl)[(1,1-dimethylethoxy)carbonyl]amino]methyl]-1-pyrrolidinecarboxylate
1-Pyrrolidinecarboxylic acid, 4-(acetylthio)-2-[[(aminosulfonyl)[(1,1-dimethylethoxy)carbonyl]amino]methyl]-, (4-nitrophenyl)methyl ester, (2S,4S)- [ACD/Index Name]
491878-06-9 [RN]
4-Nitrobenzyl (2S,4S)-4-(acetylsulfanyl)-2-{[(tert-butoxycarbonyl)(sulfamoyl)amino]methyl}pyrrolidine-1-carboxylate
4-Nitrobenzyl (2S,4S)-4-(acetylsulfanyl)-2-{[{[(2-methyl-2-propanyl)oxy]carbonyl}(sulfamoyl)amino]methyl}-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
4-Nitrobenzyl-(2S,4S)-4-(acetylsulfanyl)-2-{[{[(2-methyl-2-propanyl)oxy]carbonyl}(sulfamoyl)amino]methyl}-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
ASPC
(2S,4S)-4-Nitrobenzyl 4-(acetylthio)-2-(((tert-butoxycarbonyl)(sulfamoyl)amino)methyl)pyrrolidine-1-carboxylate
(2S.4S)-2-[N-TERT-BUTOXYCARBONYL-SULFAMOYLAMINO METHYL]-4-MECAPTOPYRROLIDINE-1-NITROBENZYL-CARBOXYLATE
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 686.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 100.7±3.0 kJ/mol
    Flash Point: 369.2±34.3 °C
    Index of Refraction: 1.616
    Molar Refractivity: 127.6±0.4 cm3
    #H bond acceptors: 13
    #H bond donors: 2
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 1.35
    ACD/LogD (pH 5.5): 2.15
    ACD/BCF (pH 5.5): 25.25
    ACD/KOC (pH 5.5): 351.05
    ACD/LogD (pH 7.4): 2.15
    ACD/BCF (pH 7.4): 25.19
    ACD/KOC (pH 7.4): 350.19
    Polar Surface Area: 216 Å2
    Polarizability: 50.6±0.5 10-24cm3
    Surface Tension: 69.8±5.0 dyne/cm
    Molar Volume: 365.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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