ChemSpider 2D Image | 1-Deoxy-1-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]amino}hex-2-ulofuranose | C18H25N3O6

1-Deoxy-1-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]amino}hex-2-ulofuranose

  • Molecular FormulaC18H25N3O6
  • Average mass379.408 Da
  • Monoisotopic mass379.174347 Da
  • ChemSpider ID57487243

More details:

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

1-Deoxy-1-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]amino}hex-2-ulofuranose [ACD/IUPAC Name]
1-Desoxy-1-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]amino}hex-2-ulofuranose [German] [ACD/IUPAC Name]
1-Désoxy-1-{[(1,5-diméthyl-3-oxo-2-phényl-2,3-dihydro-1H-pyrazol-4-yl)méthyl]amino}hex-2-ulofuranose [French] [ACD/IUPAC Name]
2-Hexulofuranose, 1-deoxy-1-[[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]amino]- [ACD/Index Name]
N-(2-(5-HYDROXYMETHYL-2,3,4,5-TETRAHYDRO-2,3,4-TRIHYDROXY)FURYL)METHYL-N-METHYLANTIPYRINE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 582.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 305.9±32.9 °C
Index of Refraction: 1.630
Molar Refractivity: 96.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.49
ACD/LogD (pH 5.5): -3.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.47
Polar Surface Area: 126 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 65.3±3.0 dyne/cm
Molar Volume: 270.9±3.0 cm3

Click to predict properties on the Chemicalize site


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