ChemSpider 2D Image | 5-[5-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-5-PHENYL-PENTYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID | C24H28N2O9S

5-[5-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-5-PHENYL-PENTYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID

  • Molecular FormulaC24H28N2O9S
  • Average mass520.552 Da
  • Monoisotopic mass520.151550 Da
  • ChemSpider ID4449893

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

5-[5-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-5-PHENYL-PENTYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID
5-{[(5S)-6-{[(2S)-1-Carboxy-3-oxo-2-butanyl]amino}-6-oxo-5-phenylhexyl]sulfamoyl}-2-hydroxybenzoesäure [German] [ACD/IUPAC Name]
5-{[(5S)-6-{[(2S)-1-Carboxy-3-oxo-2-butanyl]amino}-6-oxo-5-phenylhexyl]sulfamoyl}-2-hydroxybenzoic acid [ACD/IUPAC Name]
Acide 5-{[(5S)-6-{[(2S)-1-carboxy-3-oxo-2-butanyl]amino}-6-oxo-5-phénylhexyl]sulfamoyl}-2-hydroxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-[[[(5S)-6-[[(1S)-1-(carboxymethyl)-2-oxopropyl]amino]-6-oxo-5-phenylhexyl]amino]sulfonyl]-2-hydroxy- [ACD/Index Name]
5PH

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: 1.598
Molar Refractivity: 128.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 3.38
ACD/LogD (pH 5.5): -1.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 196 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 63.1±3.0 dyne/cm
Molar Volume: 375.6±3.0 cm3

Click to predict properties on the Chemicalize site


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