ChemSpider 2D Image | 4-[(4-{[(1-Carboxypropyl)carbamoyl]sulfamoyl}benzyl)amino]-4-oxobutanoic acid | C16H21N3O8S

4-[(4-{[(1-Carboxypropyl)carbamoyl]sulfamoyl}benzyl)amino]-4-oxobutanoic acid

  • Molecular FormulaC16H21N3O8S
  • Average mass415.418 Da
  • Monoisotopic mass415.104950 Da
  • ChemSpider ID66553704

More details:






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

4-[(4-{[(1-Carboxypropyl)carbamoyl]sulfamoyl}benzyl)amino]-4-oxobutanoic acid [ACD/IUPAC Name]
4-[(4-{[(1-Carboxypropyl)carbamoyl]sulfamoyl}benzyl)amino]-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-[(4-{[(1-carboxypropyl)carbamoyl]sulfamoyl}benzyl)amino]-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[[4-[[[[(1-carboxypropyl)amino]carbonyl]amino]sulfonyl]phenyl]methyl]amino]-4-oxo- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.579
Molar Refractivity: 96.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -0.87
ACD/LogD (pH 5.5): -5.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 187 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 63.9±3.0 dyne/cm
Molar Volume: 289.9±3.0 cm3

Click to predict properties on the Chemicalize site






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