ChemSpider 2D Image | Alatrofloxacin | C26H25F3N6O5

Alatrofloxacin

  • Molecular FormulaC26H25F3N6O5
  • Average mass558.509 Da
  • Monoisotopic mass558.183838 Da
  • ChemSpider ID21243647
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

146961-76-4 [RN]
7495
7QVV6I50DT
Alatrofloxacin [INN] [Wiki]
Alatrofloxacine [French] [INN]
alatrofloxacino [Spanish] [INN]
alatrofloxacinum [Latin] [INN]
L-Alaninamide, L-alanyl-N-[(1R,5S)-3-[6-carboxy-8-(2,4-difluorophenyl)-3-fluoro-5,8-dihydro-5-oxo-1,8-naphthyridin-2-yl]-3-azabicyclo[3.1.0]hex-6-yl]- [ACD/Index Name]
L-Alanyl-N-{(1R,5S,6s)-3-[6-carboxy-8-(2,4-difluorophenyl)-3-fluoro-5-oxo-5,8-dihydro-1,8-naphthyridin-2-yl]-3-azabicyclo[3.1.0]hex-6-yl}-L-alaninamide [ACD/IUPAC Name]
L-Alanyl-N-{(1R,5S,6s)-3-[6-carboxy-8-(2,4-difluorophényl)-3-fluoro-5-oxo-5,8-dihydro-1,8-naphtyridin-2-yl]-3-azabicyclo[3.1.0]hex-6-yl}-L-alaninamide [French] [ACD/IUPAC Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 863.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.4±3.0 kJ/mol
Flash Point: 475.8±34.3 °C
Index of Refraction: 1.673
Molar Refractivity: 133.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 0.33
ACD/LogD (pH 5.5): -2.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 77.7±5.0 dyne/cm
Molar Volume: 355.1±5.0 cm3

Click to predict properties on the Chemicalize site





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