ChemSpider 2D Image | (2S,7R,9R)-4,5-Dihydroxy-2,3,6,7,8,9-hexahydro-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid | C14H14N2O8

(2S,7R,9R)-4,5-Dihydroxy-2,3,6,7,8,9-hexahydro-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid

  • Molecular FormulaC14H14N2O8
  • Average mass338.270 Da
  • Monoisotopic mass338.075012 Da
  • ChemSpider ID25056674

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,7R,9R)-4,5-Dihydroxy-2,3,6,7,8,9-hexahydro-1H-pyrrolo[2,3-f]chinolin-2,7,9-tricarbonsäure [German] [ACD/IUPAC Name]
(2S,7R,9R)-4,5-Dihydroxy-2,3,6,7,8,9-hexahydro-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid [ACD/IUPAC Name]
1H-Pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid, 2,3,6,7,8,9-hexahydro-4,5-dihydroxy-, (2S,7R,9R)- [ACD/Index Name]
Acide (2S,7R,9R)-4,5-dihydroxy-2,3,6,7,8,9-hexahydro-1H-pyrrolo[2,3-f]quinoléine-2,7,9-tricarboxylique [French] [ACD/IUPAC Name]
AHQ

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

Density: 1.8±0.1 g/cm3
Boiling Point: 660.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 353.0±31.5 °C
Index of Refraction: 1.712
Molar Refractivity: 74.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -0.99
ACD/LogD (pH 5.5): -4.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 176 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 102.1±3.0 dyne/cm
Molar Volume: 191.0±3.0 cm3

Click to predict properties on the Chemicalize site


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