ChemSpider 2D Image | 6'-Hydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-3'-yl beta-D-glucopyranosiduronic acid | C26H20O11

6'-Hydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-3'-yl β-D-glucopyranosiduronic acid

  • Molecular FormulaC26H20O11
  • Average mass508.430 Da
  • Monoisotopic mass508.100555 Da
  • ChemSpider ID110254

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

6'-Hydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-3'-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
6'-Hydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-3'-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de 6'-hydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-3'-yle [French] [ACD/IUPAC Name]
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3'-(β-D-glucopyranuronosyloxy)-6'-hydroxy- [ACD/Index Name]
(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-{3'-HYDROXY-3H-SPIRO[2-BENZOFURAN-1,9'-XANTHENE]-3-ONEOXY}OXANE-2-CARBOXYLIC ACID
(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-{3'-HYDROXYSPIRO[2-BENZOFURAN-1,9'-XANTHENE]-3-ONEOXY}OXANE-2-CARBOXYLIC ACID
74804-84-5 [RN]
fluorescein glucuronide
Fluorescein monoglucuronide
FLUORESCEIN MONO-SS-D-GLUCURONIDE
More...

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

Density: 1.8±0.1 g/cm3
Boiling Point: 860.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.0±3.0 kJ/mol
Flash Point: 297.1±27.8 °C
Index of Refraction: 1.785
Molar Refractivity: 121.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 0.49
ACD/LogD (pH 5.5): -1.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 172 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 110.5±5.0 dyne/cm
Molar Volume: 289.1±5.0 cm3

Click to predict properties on the Chemicalize site


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