ChemSpider 2D Image | 2-O-(2-Amino-2-oxoethyl)-1,5-anhydro-3,4-dideoxy-3-{[(6-fluoro-2-oxo-1,2-dihydro-4-quinolinyl)carbonyl]amino}-D-threo-pentitol | C17H18FN3O5

2-O-(2-Amino-2-oxoethyl)-1,5-anhydro-3,4-dideoxy-3-{[(6-fluoro-2-oxo-1,2-dihydro-4-quinolinyl)carbonyl]amino}-D-threo-pentitol

  • Molecular FormulaC17H18FN3O5
  • Average mass363.340 Da
  • Monoisotopic mass363.123047 Da
  • ChemSpider ID35051426

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-O-(2-Amino-2-oxoethyl)-1,5-anhydro-3,4-dideoxy-3-{[(6-fluoro-2-oxo-1,2-dihydro-4-quinolinyl)carbonyl]amino}-D-threo-pentitol [ACD/IUPAC Name]
2-O-(2-Amino-2-oxoethyl)-1,5-anhydro-3,4-didesoxy-3-{[(6-fluor-2-oxo-1,2-dihydro-4-chinolinyl)carbonyl]amino}-D-threo-pentitol [German] [ACD/IUPAC Name]
2-O-(2-Amino-2-oxoéthyl)-1,5-anhydro-3,4-didésoxy-3-{[(6-fluoro-2-oxo-1,2-dihydro-4-quinoléinyl)carbonyl]amino}-D-thréo-pentitol [French] [ACD/IUPAC Name]
D-threo-Pentitol, 2-O-(2-amino-2-oxoethyl)-1,5-anhydro-3,4-dideoxy-3-[[(6-fluoro-1,2-dihydro-2-oxo-4-quinolinyl)carbonyl]amino]- [ACD/Index Name]
2-O-(2-amino-2-oxoethyl)-1,5-anhydro-3,4-dideoxy-3-{[(6-fluoro-2-oxo-1,2-dihydroquinolin-4-yl)carbonyl]amino}-D-threo-pentitol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 724.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 392.2±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 88.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.67
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.53
ACD/LogD (pH 7.4): -0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.41
Polar Surface Area: 120 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 62.9±5.0 dyne/cm
Molar Volume: 253.3±5.0 cm3

Click to predict properties on the Chemicalize site


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