ChemSpider 2D Image | 5-[(5-{[(2S)-1-Carboxy-3-oxo-2-propanyl]carbamoyl}heptyl)sulfamoyl]-2-hydroxybenzoic acid | C19H26N2O9S

5-[(5-{[(2S)-1-Carboxy-3-oxo-2-propanyl]carbamoyl}heptyl)sulfamoyl]-2-hydroxybenzoic acid

  • Molecular FormulaC19H26N2O9S
  • Average mass458.483 Da
  • Monoisotopic mass458.135895 Da
  • ChemSpider ID23203184

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

5-[(5-{[(2S)-1-Carboxy-3-oxo-2-propanyl]carbamoyl}heptyl)sulfamoyl]-2-hydroxybenzoesäure [German] [ACD/IUPAC Name]
5-[(5-{[(2S)-1-Carboxy-3-oxo-2-propanyl]carbamoyl}heptyl)sulfamoyl]-2-hydroxybenzoic acid [ACD/IUPAC Name]
5-[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}heptyl)sulfamoyl]-2-hydroxybenzoic acid
Acide 5-[(5-{[(2S)-1-carboxy-3-oxo-2-propanyl]carbamoyl}heptyl)sulfamoyl]-2-hydroxybenzoïque [French] [ACD/IUPAC Name]
benzoic acid, 5-[[[5-[[[(1S)-2-carboxy-1-formylethyl]amino]carbonyl]heptyl]amino]sulfonyl]-2-hydroxy- [ACD/Index Name]
5-[5-((S)-2-Carboxy-1-formyl-ethylcarbamoyl)-heptylsulfamoyl]-2-hydroxy-benzoic acid
sulfonamide analog 3

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.568
Molar Refractivity: 108.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 2.59
ACD/LogD (pH 5.5): -1.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 196 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 61.8±3.0 dyne/cm
Molar Volume: 331.2±3.0 cm3

Click to predict properties on the Chemicalize site


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