ChemSpider 2D Image | 5-(3,5-Dihydroxy-8,8-dimethyl-4-oxo-9,10-dihydro-4H,8H-pyrano[2,3-f]chromen-2-yl)-2-methoxybenzenesulfonic acid | C21H20O9S

5-(3,5-Dihydroxy-8,8-dimethyl-4-oxo-9,10-dihydro-4H,8H-pyrano[2,3-f]chromen-2-yl)-2-methoxybenzenesulfonic acid

  • Molecular FormulaC21H20O9S
  • Average mass448.443 Da
  • Monoisotopic mass448.082794 Da
  • ChemSpider ID24624899

More details:

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

5-(3,5-Dihydroxy-8,8-dimethyl-4-oxo-9,10-dihydro-4H,8H-pyrano[2,3-f]chromen-2-yl)-2-methoxybenzenesulfonic acid [ACD/IUPAC Name]
5-(3,5-Dihydroxy-8,8-dimethyl-4-oxo-9,10-dihydro-4H,8H-pyrano[2,3-f]chromen-2-yl)-2-methoxybenzolsulfonsäure [German] [ACD/IUPAC Name]
Acide 5-(3,5-dihydroxy-8,8-diméthyl-4-oxo-9,10-dihydro-4H,8H-pyrano[2,3-f]chromén-2-yl)-2-méthoxybenzènesulfonique [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 5-(9,10-dihydro-3,5-dihydroxy-8,8-dimethyl-4-oxo-4H,8H-benzo[1,2-b:3,4-b']dipyran-2-yl)-2-methoxy- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.645
Molar Refractivity: 107.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): -1.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 148 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 65.6±3.0 dyne/cm
Molar Volume: 295.7±3.0 cm3

Click to predict properties on the Chemicalize site


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