ChemSpider 2D Image | 5-[(6-{[(1R)-1-Carboxy-2-oxoethyl]amino}-6-oxohexyl)sulfamoyl]-2-hydroxybenzoic acid | C16H20N2O9S

5-[(6-{[(1R)-1-Carboxy-2-oxoethyl]amino}-6-oxohexyl)sulfamoyl]-2-hydroxybenzoic acid

  • Molecular FormulaC16H20N2O9S
  • Average mass416.403 Da
  • Monoisotopic mass416.088959 Da
  • ChemSpider ID23199721

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

5-[(6-{[(1R)-1-Carboxy-2-oxoethyl]amino}-6-oxohexyl)sulfamoyl]-2-hydroxybenzoesäure [German] [ACD/IUPAC Name]
5-[(6-{[(1R)-1-Carboxy-2-oxoethyl]amino}-6-oxohexyl)sulfamoyl]-2-hydroxybenzoic acid [ACD/IUPAC Name]
Acide 5-[(6-{[(1R)-1-carboxy-2-oxoéthyl]amino}-6-oxohexyl)sulfamoyl]-2-hydroxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-[[[6-[[(1R)-1-carboxy-2-oxoethyl]amino]-6-oxohexyl]amino]sulfonyl]-2-hydroxy- [ACD/Index Name]
5-[5-((R)-1-Carboxy-2-oxo-ethylcarbamoyl)-pentylsulfamoyl]-2-hydroxy-benzoic acid
CHEMBL117572

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: 1.586
Molar Refractivity: 94.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 1.90
ACD/LogD (pH 5.5): -3.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 196 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 68.9±3.0 dyne/cm
Molar Volume: 281.3±3.0 cm3

Click to predict properties on the Chemicalize site


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