Found 23 results

Search term: MF = 'C_{21}H_{24}N_{2}O_{9}S_{2}'
ChemSpider 2D Image | 5-{[6-{[(2S)-1-Carboxy-3-oxo-2-propanyl]amino}-6-oxo-5-(3-thienyl)hexyl]sulfamoyl}-2-hydroxybenzoic acid | C21H24N2O9S2

5-{[6-{[(2S)-1-Carboxy-3-oxo-2-propanyl]amino}-6-oxo-5-(3-thienyl)hexyl]sulfamoyl}-2-hydroxybenzoic acid

  • Molecular FormulaC21H24N2O9S2
  • Average mass512.553 Da
  • Monoisotopic mass512.092346 Da
  • ChemSpider ID23203048

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

5-{[6-{[(2S)-1-Carboxy-3-oxo-2-propanyl]amino}-6-oxo-5-(3-thienyl)hexyl]sulfamoyl}-2-hydroxybenzoesäure [German] [ACD/IUPAC Name]
5-{[6-{[(2S)-1-Carboxy-3-oxo-2-propanyl]amino}-6-oxo-5-(3-thienyl)hexyl]sulfamoyl}-2-hydroxybenzoic acid [ACD/IUPAC Name]
5-{[6-{[(2S)-1-carboxy-3-oxopropan-2-yl]amino}-6-oxo-5-(thiophen-3-yl)hexyl]sulfamoyl}-2-hydroxybenzoic acid
Acide 5-{[6-{[(2S)-1-carboxy-3-oxo-2-propanyl]amino}-6-oxo-5-(3-thiényl)hexyl]sulfamoyl}-2-hydroxybenzoïque [French] [ACD/IUPAC Name]
benzoic acid, 5-[[[6-[[(1S)-2-carboxy-1-formylethyl]amino]-6-oxo-5-(3-thienyl)hexyl]amino]sulfonyl]-2-hydroxy- [ACD/Index Name]
5-[5-((S)-2-Carboxy-1-formyl-ethylcarbamoyl)-5-thiophen-3-yl-pentylsulfamoyl]-2-hydroxy-benzoic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL331572/
sulfonamide analog 20

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: 1.616
Molar Refractivity: 121.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 2.89
ACD/LogD (pH 5.5): -1.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 224 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 69.6±3.0 dyne/cm
Molar Volume: 348.7±3.0 cm3

Click to predict properties on the Chemicalize site


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