ChemSpider 2D Image | 3-Formyl-8-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-2-oxo-2H-pyrano[4,3,2-de]chromen-4-yl beta-D-glucopyranoside | C26H24O14

3-Formyl-8-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-2-oxo-2H-pyrano[4,3,2-de]chromen-4-yl β-D-glucopyranoside

  • Molecular FormulaC26H24O14
  • Average mass560.460 Da
  • Monoisotopic mass560.116577 Da
  • ChemSpider ID8500968

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2H-Pyrano[4,3,2-de]-1-benzopyran-3-carboxaldehyde, 4-(β-D-glucopyranosyloxy)-8-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-2-oxo- [ACD/Index Name]
3-Formyl-8-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-2-oxo-2H-pyrano[4,3,2-de]chromen-4-yl β-D-glucopyranoside [ACD/IUPAC Name]
3-Formyl-8-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-2-oxo-2H-pyrano[4,3,2-de]chromen-4-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 3-formyl-8-hydroxy-5-(4-hydroxy-3,5-diméthoxyphényl)-2-oxo-2H-pyrano[4,3,2-de]chromén-4-yle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 931.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.0±3.0 kJ/mol
Flash Point: 314.9±27.8 °C
Index of Refraction: 1.735
Molar Refractivity: 129.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 3.08
ACD/KOC (pH 5.5): 77.08
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.85
Polar Surface Area: 211 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 104.1±5.0 dyne/cm
Molar Volume: 321.7±5.0 cm3

Click to predict properties on the Chemicalize site


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