ChemSpider 2D Image | 3-[{[2,5-Bis(methoxycarbonyl)phenyl]sulfonyl}(methyl)amino]-2-methylpropanoic acid | C15H19NO8S

3-[{[2,5-Bis(methoxycarbonyl)phenyl]sulfonyl}(methyl)amino]-2-methylpropanoic acid

  • Molecular FormulaC15H19NO8S
  • Average mass373.378 Da
  • Monoisotopic mass373.083130 Da
  • ChemSpider ID54492640

More details:

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

1,4-Benzenedicarboxylic acid, 2-[[(2-carboxypropyl)methylamino]sulfonyl]-, 1,4-dimethyl ester [ACD/Index Name]
3-[{[2,5-Bis(methoxycarbonyl)phenyl]sulfonyl}(methyl)amino]-2-methylpropanoic acid [ACD/IUPAC Name]
3-[{[2,5-Bis(methoxycarbonyl)phenyl]sulfonyl}(methyl)amino]-2-methylpropansäure [German] [ACD/IUPAC Name]
Acide 3-[{[2,5-bis(méthoxycarbonyl)phényl]sulfonyl}(méthyl)amino]-2-méthylpropanoïque [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 569.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 298.3±32.9 °C
Index of Refraction: 1.541
Molar Refractivity: 86.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.26
ACD/LogD (pH 7.4): -1.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 136 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 275.3±3.0 cm3

Click to predict properties on the Chemicalize site


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