ChemSpider 2D Image | 3-Hydroxy-6-[(4-hydroxy-7-methoxy-2-oxo-2H-chromen-3-yl)carbamoyl]-4-[(2,3,6-trideoxy-3-methyl-4-O-methyl-3-nitrohexopyranosyl)oxy]-2-pyridinecarboxylic acid | C25H25N3O13

3-Hydroxy-6-[(4-hydroxy-7-methoxy-2-oxo-2H-chromen-3-yl)carbamoyl]-4-[(2,3,6-trideoxy-3-methyl-4-O-methyl-3-nitrohexopyranosyl)oxy]-2-pyridinecarboxylic acid

  • Molecular FormulaC25H25N3O13
  • Average mass575.478 Da
  • Monoisotopic mass575.138733 Da
  • ChemSpider ID19992714

More details:

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

2-Pyridinecarboxylic acid, 3-hydroxy-6-[[(4-hydroxy-7-methoxy-2-oxo-2H-1-benzopyran-3-yl)amino]carbonyl]-4-[(2,3,6-trideoxy-3-methyl-4-O-methyl-3-nitrohexopyranosyl)oxy]- [ACD/Index Name]
3-Hydroxy-6-(((4-hydroxy-7-methoxy-2-oxo-2H-1-benzopyran-3-yl)amino)carbonyl)-4-((tetrahydro-5-methoxy-4,6-dimethyl-4-nitro-2H-pyran-2-yl)oxy)-2-pyridinecarboxylic acid
3-Hydroxy-6-[(4-hydroxy-7-methoxy-2-oxo-2H-chromen-3-yl)carbamoyl]-4-[(2,3,6-trideoxy-3-methyl-4-O-methyl-3-nitrohexopyranosyl)oxy]-2-pyridinecarboxylic acid [ACD/IUPAC Name]
3-Hydroxy-6-[(4-hydroxy-7-methoxy-2-oxo-2H-chromen-3-yl)carbamoyl]-4-[(2,3,6-tridesoxy-3-methyl-4-O-methyl-3-nitrohexopyranosyl)oxy]-2-pyridincarbonsäure [German] [ACD/IUPAC Name]
Acide 3-hydroxy-6-[(4-hydroxy-7-méthoxy-2-oxo-2H-chromén-3-yl)carbamoyl]-4-[(2,3,6-tridésoxy-3-méthyl-4-O-méthyl-3-nitrohexopyranosyl)oxy]-2-pyridinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 939.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.1±3.0 kJ/mol
Flash Point: 521.8±34.3 °C
Index of Refraction: 1.664
Molar Refractivity: 132.7±0.4 cm3
#H bond acceptors: 16
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.97
ACD/LogD (pH 5.5): -2.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 229 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 86.8±5.0 dyne/cm
Molar Volume: 357.6±5.0 cm3

Click to predict properties on the Chemicalize site


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