ChemSpider 2D Image | 2,4-Dihydroxy-3-({3-[1-({[(2-methyl-2-propanyl)oxy]carbonyl}sulfamoyl)-1,2,5,6-tetrahydro-3-pyridinyl]propanoyl}amino)benzoic acid | C20H27N3O9S

2,4-Dihydroxy-3-({3-[1-({[(2-methyl-2-propanyl)oxy]carbonyl}sulfamoyl)-1,2,5,6-tetrahydro-3-pyridinyl]propanoyl}amino)benzoic acid

  • Molecular FormulaC20H27N3O9S
  • Average mass485.508 Da
  • Monoisotopic mass485.146790 Da
  • ChemSpider ID30794722

More details:

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

2,4-Dihydroxy-3-({3-[1-({[(2-methyl-2-propanyl)oxy]carbonyl}sulfamoyl)-1,2,5,6-tetrahydro-3-pyridinyl]propanoyl}amino)benzoesäure [German] [ACD/IUPAC Name]
2,4-Dihydroxy-3-({3-[1-({[(2-methyl-2-propanyl)oxy]carbonyl}sulfamoyl)-1,2,5,6-tetrahydro-3-pyridinyl]propanoyl}amino)benzoic acid [ACD/IUPAC Name]
Acide 2,4-dihydroxy-3-({3-[1-({[(2-méthyl-2-propanyl)oxy]carbonyl}sulfamoyl)-1,2,5,6-tétrahydro-3-pyridinyl]propanoyl}amino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[3-[1-[[[(1,1-dimethylethoxy)carbonyl]amino]sulfonyl]-1,2,5,6-tetrahydro-3-pyridinyl]-1-oxopropyl]amino]-2,4-dihydroxy- [ACD/Index 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: 1.640
Molar Refractivity: 115.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.64
ACD/LogD (pH 5.5): -0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 191 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 78.9±5.0 dyne/cm
Molar Volume: 321.9±5.0 cm3

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