ChemSpider 2D Image | QUININE GLUCURONIDE | C26H32N2O8

QUININE GLUCURONIDE

  • Molecular FormulaC26H32N2O8
  • Average mass500.541 Da
  • Monoisotopic mass500.215851 Da
  • ChemSpider ID52083669

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(8α,9R)-6'-Methoxycinchonan-9-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(8α,9R)-6'-Methoxycinchonan-9-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
47773-68-2 [RN]
Acide β-D-glucopyranosiduronique de (8α,9R)-6'-méthoxycinchonan-9-yle [French] [ACD/IUPAC Name]
QUININE GLUCURONIDE
β-D-Glucopyranosiduronic acid, (8α,9R)-6'-methoxycinchonan-9-yl [ACD/Index Name]

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

354N1CG787 [DBID]
UNII:354N1CG787 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 725.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.2±3.0 kJ/mol
Flash Point: 392.5±32.9 °C
Index of Refraction: 1.667
Molar Refractivity: 129.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.71
ACD/LogD (pH 5.5): -1.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 75.6±5.0 dyne/cm
Molar Volume: 348.1±5.0 cm3

Click to predict properties on the Chemicalize site


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