ChemSpider 2D Image | {3-[3-(Carboxymethyl)-4,5-dioxo-4,5-dihydro-1H-pyrrol-2-yl]-4,5,6-trihydroxy-2-pyridinyl}acetic acid | C13H10N2O9

{3-[3-(Carboxymethyl)-4,5-dioxo-4,5-dihydro-1H-pyrrol-2-yl]-4,5,6-trihydroxy-2-pyridinyl}acetic acid

  • Molecular FormulaC13H10N2O9
  • Average mass338.227 Da
  • Monoisotopic mass338.038635 Da
  • ChemSpider ID67156295

More details:

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

{3-[3-(Carboxymethyl)-4,5-dioxo-4,5-dihydro-1H-pyrrol-2-yl]-4,5,6-trihydroxy-2-pyridinyl}acetic acid [ACD/IUPAC Name]
{3-[3-(Carboxymethyl)-4,5-dioxo-4,5-dihydro-1H-pyrrol-2-yl]-4,5,6-trihydroxy-2-pyridinyl}essigsäure [German] [ACD/IUPAC Name]
2-Pyridineacetic acid, 3-[3-(carboxymethyl)-4,5-dihydro-4,5-dioxo-1H-pyrrol-2-yl]-4,5,6-trihydroxy- [ACD/Index Name]
Acide {3-[3-(carboxyméthyl)-4,5-dioxo-4,5-dihydro-1H-pyrrol-2-yl]-4,5,6-trihydroxy-2-pyridinyl}acétique [French] [ACD/IUPAC Name]
3-(3-carboxymethyl-4,5-dihydro-4,5-dioxo-2-pyrrolyl)-4,5,6-trihydroxy-pyridine-2-acetic acid
Rubrifacine

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.733
Molar Refractivity: 71.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -1.67
ACD/LogD (pH 5.5): -6.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 194 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 122.9±3.0 dyne/cm
Molar Volume: 179.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement