ChemSpider 2D Image | (2E)-4-[(4-{[(2-Carboxyethyl)(methyl)carbamoyl]sulfamoyl}benzyl)amino]-4-oxo-2-butenoic acid | C16H19N3O8S

(2E)-4-[(4-{[(2-Carboxyethyl)(methyl)carbamoyl]sulfamoyl}benzyl)amino]-4-oxo-2-butenoic acid

  • Molecular FormulaC16H19N3O8S
  • Average mass413.402 Da
  • Monoisotopic mass413.089294 Da
  • ChemSpider ID66488989

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-4-[(4-{[(2-Carboxyethyl)(methyl)carbamoyl]sulfamoyl}benzyl)amino]-4-oxo-2-butenoic acid [ACD/IUPAC Name]
(2E)-4-[(4-{[(2-Carboxyethyl)(methyl)carbamoyl]sulfamoyl}benzyl)amino]-4-oxo-2-butensäure [German] [ACD/IUPAC Name]
2-Butenoic acid, 4-[[[4-[[[[(2-carboxyethyl)methylamino]carbonyl]amino]sulfonyl]phenyl]methyl]amino]-4-oxo-, (2E)- [ACD/Index Name]
Acide (2E)-4-[(4-{[(2-carboxyéthyl)(méthyl)carbamoyl]sulfamoyl}benzyl)amino]-4-oxo-2-buténoïque [French] [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.601
Molar Refractivity: 96.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -1.38
ACD/LogD (pH 5.5): -5.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 179 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 67.6±3.0 dyne/cm
Molar Volume: 281.6±3.0 cm3

Click to predict properties on the Chemicalize site


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