ChemSpider 2D Image | (1R)-1,5-Anhydro-1-[7-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-8-yl]-L-glucitol | C22H22O9

(1R)-1,5-Anhydro-1-[7-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-8-yl]-L-glucitol

  • Molecular FormulaC22H22O9
  • Average mass430.405 Da
  • Monoisotopic mass430.126373 Da
  • ChemSpider ID82827361

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R)-1,5-Anhydro-1-[7-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-8-yl]-L-glucitol [German] [ACD/IUPAC Name]
(1R)-1,5-Anhydro-1-[7-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-8-yl]-L-glucitol [ACD/IUPAC Name]
(1R)-1,5-Anhydro-1-[7-hydroxy-3-(4-méthoxyphényl)-4-oxo-4H-chromén-8-yl]-L-glucitol [French] [ACD/IUPAC Name]
L-Glucitol, 1,5-anhydro-1-C-[7-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]-, (1R)- [ACD/Index 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: 661.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 232.2±25.0 °C
Index of Refraction: 1.676
Molar Refractivity: 106.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 4.28
ACD/KOC (pH 5.5): 95.67
ACD/LogD (pH 7.4): 0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.15
Polar Surface Area: 146 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 76.0±3.0 dyne/cm
Molar Volume: 283.5±3.0 cm3

Click to predict properties on the Chemicalize site


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