ChemSpider 2D Image | 5-[(1R)-2-{[5-Ethyl-6-(1-hydroxyethyl)-2,3-dihydro-1H-inden-2-yl]amino}-1-hydroxyethyl]-2-oxo-1,2-dihydro-8-quinolinyl beta-D-glucopyranosiduronic acid | C30H36N2O10

5-[(1R)-2-{[5-Ethyl-6-(1-hydroxyethyl)-2,3-dihydro-1H-inden-2-yl]amino}-1-hydroxyethyl]-2-oxo-1,2-dihydro-8-quinolinyl β-D-glucopyranosiduronic acid

  • Molecular FormulaC30H36N2O10
  • Average mass584.614 Da
  • Monoisotopic mass584.237000 Da
  • ChemSpider ID58994065

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

2(1H)-Quinolinone, 5-[(1R)-2-[[5-ethyl-2,3-dihydro-6-(1-hydroxyethyl)-1H-inden-2-yl]amino]-1-hydroxyethyl]-8-(β-D-glucopyranuronosyloxy)- [ACD/Index Name]
5-[(1R)-2-{[5-Ethyl-6-(1-hydroxyethyl)-2,3-dihydro-1H-inden-2-yl]amino}-1-hydroxyethyl]-2-oxo-1,2-dihydro-8-chinolinyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
5-[(1R)-2-{[5-Ethyl-6-(1-hydroxyethyl)-2,3-dihydro-1H-inden-2-yl]amino}-1-hydroxyethyl]-2-oxo-1,2-dihydro-8-quinolinyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de 5-[(1R)-2-{[5-éthyl-6-(1-hydroxyéthyl)-2,3-dihydro-1H-indén-2-yl]amino}-1-hydroxyéthyl]-2-oxo-1,2-dihydro-8-quinoléinyle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 944.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.0±3.0 kJ/mol
Flash Point: 525.0±34.3 °C
Index of Refraction: 1.697
Molar Refractivity: 148.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.88
ACD/LogD (pH 5.5): -3.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 198 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 87.6±5.0 dyne/cm
Molar Volume: 385.9±5.0 cm3

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