ChemSpider 2D Image | (1R)-1,5-Anhydro-1-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-4H-chromen-6-yl]-D-mannitol | C22H22O11

(1R)-1,5-Anhydro-1-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-4H-chromen-6-yl]-D-mannitol

  • Molecular FormulaC22H22O11
  • Average mass462.404 Da
  • Monoisotopic mass462.116211 Da
  • ChemSpider ID113609150

  • 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-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-4H-chromen-6-yl]-D-mannitol [German] [ACD/IUPAC Name]
(1R)-1,5-Anhydro-1-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-4H-chromen-6-yl]-D-mannitol [ACD/IUPAC Name]
(1R)-1,5-Anhydro-1-[2-(3,4-dihydroxyphényl)-5-hydroxy-7-méthoxy-4-oxo-4H-chromén-6-yl]-D-mannitol [French] [ACD/IUPAC Name]
D-Mannitol, 1,5-anhydro-1-C-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-6-yl]-, (1R)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 761.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.3±3.0 kJ/mol
Flash Point: 266.6±26.4 °C
Index of Refraction: 1.717
Molar Refractivity: 110.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 2.79
ACD/KOC (pH 5.5): 63.87
ACD/LogD (pH 7.4): -0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.25
Polar Surface Area: 186 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 91.6±3.0 dyne/cm
Molar Volume: 280.3±3.0 cm3

Click to predict properties on the Chemicalize site


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