ChemSpider 2D Image | 4-Nitrobenzyl 4-[(1-hydroxyvinyl)sulfanyl]-2-{[{[(2-methyl-2-propanyl)oxy]carbonyl}(sulfamoyl)amino]methyl}-1-pyrrolidinecarboxylate | C20H28N4O9S2

4-Nitrobenzyl 4-[(1-hydroxyvinyl)sulfanyl]-2-{[{[(2-methyl-2-propanyl)oxy]carbonyl}(sulfamoyl)amino]methyl}-1-pyrrolidinecarboxylate

  • Molecular FormulaC20H28N4O9S2
  • Average mass532.588 Da
  • Monoisotopic mass532.129761 Da
  • ChemSpider ID95622308

More details:

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

1-Pyrrolidinecarboxylic acid, 2-[[(aminosulfonyl)[(1,1-dimethylethoxy)carbonyl]amino]methyl]-4-[(1-hydroxyethenyl)thio]-, (4-nitrophenyl)methyl ester [ACD/Index Name]
4-[(1-Hydroxyvinyl)sulfanyl]-2-{[{[(2-méthyl-2-propanyl)oxy]carbonyl}(sulfamoyl)amino]méthyl}-1-pyrrolidinecarboxylate de 4-nitrobenzyle [French] [ACD/IUPAC Name]
4-Nitrobenzyl 4-[(1-hydroxyvinyl)sulfanyl]-2-{[{[(2-methyl-2-propanyl)oxy]carbonyl}(sulfamoyl)amino]methyl}-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
4-Nitrobenzyl-4-[(1-hydroxyvinyl)sulfanyl]-2-{[{[(2-methyl-2-propanyl)oxy]carbonyl}(sulfamoyl)amino]methyl}-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 724.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.1±3.0 kJ/mol
Flash Point: 391.9±35.7 °C
Index of Refraction: 1.631
Molar Refractivity: 128.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.56
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 16.70
ACD/KOC (pH 5.5): 261.09
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.39
ACD/KOC (pH 7.4): 256.27
Polar Surface Area: 219 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 72.5±5.0 dyne/cm
Molar Volume: 360.6±5.0 cm3

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