Deprecated ChemSpider Record

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ChemSpider 2D Image | 7-[(1R,5S)-6-({(2R)-1-[(2-Aminopropanoyl)amino]-1-oxo-2-propanyl}amino)-3-azabicyclo[3.1.0]hex-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid (non-preferre
d name) | C26H25F3N6O5

7-[(1R,5S)-6-({(2R)-1-[(2-Aminopropanoyl)amino]-1-oxo-2-propanyl}amino)-3-azabicyclo[3.1.0]hex-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid (non-preferre d name)

  • Molecular FormulaC26H25F3N6O5
  • Average mass558.509 Da
  • Monoisotopic mass558.184021 Da
  • ChemSpider ID21106252
  • defined stereocentres - 2 of 5 defined stereocentres


More details:





Date of deprecation: 15:00, Aug 7, 2014
Reason for deprecation: Deprecate record: no supporting datasources - was linked to wikipedia but the article shows more stereochemistry so does not support this structure

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.0 g/cm3
Boiling Point: 775.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 118.3±0.0 kJ/mol
Flash Point: 422.5±0.0 °C
Index of Refraction: 1.673
Molar Refractivity: 133.2±0.0 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -0.55
ACD/LogD (pH 5.5): -2.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability: 52.8±0.0 10-24cm3
Surface Tension: 77.7±0.0 dyne/cm
Molar Volume: 355.1±0.0 cm3

Click to predict properties on the Chemicalize site





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