ChemSpider 2D Image | (1S)-1,5-Anhydro-1-(1,3,6-trihydroxy-7-methoxy-9-oxo-9H-xanthen-2-yl)-D-glucitol | C20H20O11

(1S)-1,5-Anhydro-1-(1,3,6-trihydroxy-7-methoxy-9-oxo-9H-xanthen-2-yl)-D-glucitol

  • Molecular FormulaC20H20O11
  • Average mass436.366 Da
  • Monoisotopic mass436.100555 Da
  • ChemSpider ID57257146

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-(1,3,6-trihydroxy-7-methoxy-9-oxo-9H-xanthen-2-yl)-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-(1,3,6-trihydroxy-7-methoxy-9-oxo-9H-xanthen-2-yl)-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-(1,3,6-trihydroxy-7-méthoxy-9-oxo-9H-xanthén-2-yl)-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-(1,3,6-trihydroxy-7-methoxy-9-oxo-9H-xanthen-2-yl)-, (1S)- [ACD/Index Name]
1,3,6-trihydroxy-7-methoxy-2-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-9H-xanthen-9-one
1,3,6-trihydroxy-7-methoxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H-xanthen-9-one
1,3,6-trihydroxy-7-methoxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
1,3,6-Trihydroxy-7-methoxyxanthone 2-C-glucoside
27822-62-4 [RN]
31002-12-7 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 828.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.2±3.0 kJ/mol
Flash Point: 295.6±27.8 °C
Index of Refraction: 1.731
Molar Refractivity: 101.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 0.43
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.76
ACD/KOC (pH 5.5): 47.72
ACD/LogD (pH 7.4): -1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 186 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 98.1±3.0 dyne/cm
Molar Volume: 254.7±3.0 cm3

Click to predict properties on the Chemicalize site


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