ChemSpider 2D Image | 6-Oxo-1-(beta-D-xylofuranosyl)-1,6-dihydro-3-pyridinecarboxylic acid | C11H13NO7

6-Oxo-1-(β-D-xylofuranosyl)-1,6-dihydro-3-pyridinecarboxylic acid

  • Molecular FormulaC11H13NO7
  • Average mass271.223 Da
  • Monoisotopic mass271.069214 Da
  • ChemSpider ID58809693

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3-Pyridinecarboxylic acid, 1,6-dihydro-6-oxo-1-β-D-xylofuranosyl- [ACD/Index Name]
6-Oxo-1-(β-D-xylofuranosyl)-1,6-dihydro-3-pyridincarbonsäure [German] [ACD/IUPAC Name]
6-Oxo-1-(β-D-xylofuranosyl)-1,6-dihydro-3-pyridinecarboxylic acid [ACD/IUPAC Name]
Acide 6-oxo-1-(β-D-xylofuranosyl)-1,6-dihydro-3-pyridinecarboxylique [French] [ACD/IUPAC Name]
1-((2R,3R,4R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid
66171-44-6 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 613.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.4±6.0 kJ/mol
Flash Point: 324.7±31.5 °C
Index of Refraction: 1.685
Molar Refractivity: 59.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.86
ACD/LogD (pH 5.5): -4.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 128 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 103.4±3.0 dyne/cm
Molar Volume: 156.8±3.0 cm3

Click to predict properties on the Chemicalize site


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