Found 1 result

Search term: XFRNDEMKHRYQIZ-NWHISXNDSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Grepafloxacin glucuronide | C25H30FN3O9

Grepafloxacin glucuronide

  • Molecular FormulaC25H30FN3O9
  • Average mass535.519 Da
  • Monoisotopic mass535.196594 Da
  • ChemSpider ID391542

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

1-O-{[1-Cyclopropyl-6-fluor-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-1,4-dihydro-3-chinolinyl]carbonyl}-β-D-glucopyranuronsäure [German] [ACD/IUPAC Name]
1-O-{[1-Cyclopropyl-6-fluoro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-1,4-dihydro-3-quinolinyl]carbonyl}-β-D-glucopyranuronic acid [ACD/IUPAC Name]
Acide 1-O-{[1-cyclopropyl-6-fluoro-5-méthyl-7-(3-méthyl-1-pipérazinyl)-4-oxo-1,4-dihydro-3-quinoléinyl]carbonyl}-β-D-glucopyranuronique [French] [ACD/IUPAC Name]
Grepafloxacin glucuronide
β-D-Glucopyranuronic acid, 1-O-[[1-cyclopropyl-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinyl]carbonyl]- [ACD/Index Name]
Grepafloxacin 3-glucuronide

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

C11597 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 839.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 127.9±3.0 kJ/mol
Flash Point: 461.7±34.3 °C
Index of Refraction: 1.680
Molar Refractivity: 127.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 1.31
ACD/LogD (pH 5.5): -2.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 84.8±5.0 dyne/cm
Molar Volume: 337.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement