ChemSpider 2D Image | (1S)-1,5-Anhydro-1-[5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4-oxo-4H-chromen-8-yl]-D-glucitol | C23H24O11

(1S)-1,5-Anhydro-1-[5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4-oxo-4H-chromen-8-yl]-D-glucitol

  • Molecular FormulaC23H24O11
  • Average mass476.430 Da
  • Monoisotopic mass476.131866 Da
  • ChemSpider ID68027026
  • 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-[5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4-oxo-4H-chromen-8-yl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4-oxo-4H-chromen-8-yl]-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[5-hydroxy-2-(4-hydroxyphényl)-6,7-diméthoxy-4-oxo-4H-chromén-8-yl]-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-[5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4-oxo-4H-1-benzopyran-8-yl]-, (1S)- [ACD/Index Name]
120727-02-8 [RN]
Abrusin

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 775.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.4±3.0 kJ/mol
Flash Point: 268.8±26.4 °C
Index of Refraction: 1.677
Molar Refractivity: 115.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.14
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 2.30
ACD/KOC (pH 5.5): 60.02
ACD/LogD (pH 7.4): -0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.33
Polar Surface Area: 175 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 78.6±3.0 dyne/cm
Molar Volume: 305.9±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement