ChemSpider 2D Image | (1S)-1,5-Anhydro-1-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl]-D-threo-hexitol | C22H22O10

(1S)-1,5-Anhydro-1-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl]-D-threo-hexitol

  • Molecular FormulaC22H22O10
  • Average mass446.404 Da
  • Monoisotopic mass446.121307 Da
  • ChemSpider ID24843471

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl]-D-threo-hexitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl]-D-threo-hexitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[5,7-dihydroxy-2-(4-méthoxyphényl)-4-oxo-4H-chromén-6-yl]-D-thréo-hexitol [French] [ACD/IUPAC Name]
D-threo-Hexitol, 1,5-anhydro-1-C-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-, (1S)- [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: 771.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.8±3.0 kJ/mol
Flash Point: 271.4±26.4 °C
Index of Refraction: 1.696
Molar Refractivity: 108.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 5.87
ACD/KOC (pH 5.5): 109.33
ACD/LogD (pH 7.4): -0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.93
Polar Surface Area: 166 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 83.5±3.0 dyne/cm
Molar Volume: 281.9±3.0 cm3

Click to predict properties on the Chemicalize site


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