ChemSpider 2D Image | 2-Deoxy-2-({[4-hydroxy-1-(3-methylphenyl)-6-oxo-1,6-dihydro-3-pyridazinyl]carbonyl}amino)-D-threo-hexopyranose | C18H21N3O8

2-Deoxy-2-({[4-hydroxy-1-(3-methylphenyl)-6-oxo-1,6-dihydro-3-pyridazinyl]carbonyl}amino)-D-threo-hexopyranose

  • Molecular FormulaC18H21N3O8
  • Average mass407.375 Da
  • Monoisotopic mass407.132874 Da
  • ChemSpider ID34743949

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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

2-Deoxy-2-({[4-hydroxy-1-(3-methylphenyl)-6-oxo-1,6-dihydro-3-pyridazinyl]carbonyl}amino)-D-threo-hexopyranose [ACD/IUPAC Name]
2-Desoxy-2-({[4-hydroxy-1-(3-methylphenyl)-6-oxo-1,6-dihydro-3-pyridazinyl]carbonyl}amino)-D-threo-hexopyranose [German] [ACD/IUPAC Name]
2-Désoxy-2-({[4-hydroxy-1-(3-méthylphényl)-6-oxo-1,6-dihydro-3-pyridazinyl]carbonyl}amino)-D-thréo-hexopyranose [French] [ACD/IUPAC Name]
D-threo-Hexopyranose, 2-deoxy-2-[[[1,6-dihydro-4-hydroxy-1-(3-methylphenyl)-6-oxo-3-pyridazinyl]carbonyl]amino]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.710
Molar Refractivity: 95.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.02
ACD/LogD (pH 5.5): -2.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 172 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 72.3±7.0 dyne/cm
Molar Volume: 243.5±7.0 cm3

Click to predict properties on the Chemicalize site


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