ChemSpider 2D Image | 5-(3'-carboxy-3'-oxopropyl) -4,6-dihydroxypicolinate | C10H9NO7

5-(3'-carboxy-3'-oxopropyl) -4,6-dihydroxypicolinate

  • Molecular FormulaC10H9NO7
  • Average mass255.181 Da
  • Monoisotopic mass255.037903 Da
  • ChemSpider ID30791292

More details:






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

3-Pyridinebutanoic acid, 6-carboxy-1,2-dihydro-4-hydroxy-α,2-dioxo- [ACD/Index Name]
5-(3'-carboxy-3'-oxopropyl) -4,6-dihydroxypicolinate
5-(3-Carboxy-3-oxopropyl)-4-hydroxy-6-oxo-1,6-dihydro-2-pyridincarbonsäure [German] [ACD/IUPAC Name]
5-(3-Carboxy-3-oxopropyl)-4-hydroxy-6-oxo-1,6-dihydro-2-pyridinecarboxylic acid [ACD/IUPAC Name]
Acide 5-(3-carboxy-3-oxopropyl)-4-hydroxy-6-oxo-1,6-dihydro-2-pyridinecarboxylique [French] [ACD/IUPAC Name]
5-(3'-carboxy-3'-oxopropyl)-4,6-dihydroxypicolinic acid
5-(3-carboxy-3-oxopropyl)-4-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxylic acid
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:86005

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

Density: 1.7±0.1 g/cm3
Boiling Point: 522.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.6±6.0 kJ/mol
Flash Point: 269.8±30.1 °C
Index of Refraction: 1.628
Molar Refractivity: 53.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -2.08
ACD/LogD (pH 5.5): -7.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 89.6±3.0 dyne/cm
Molar Volume: 151.1±3.0 cm3

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