ChemSpider 2D Image | 5-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl alpha-D-glucopyranoside | C23H24O12

5-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl α-D-glucopyranoside

  • Molecular FormulaC23H24O12
  • Average mass492.430 Da
  • Monoisotopic mass492.126770 Da
  • ChemSpider ID78317647

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 7-(α-D-glucopyranosyloxy)-5-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy- [ACD/Index Name]
5-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl α-D-glucopyranoside [ACD/IUPAC Name]
5-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
α-D-Glucopyranoside de 5-hydroxy-3-(4-hydroxy-3-méthoxyphényl)-6-méthoxy-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
94396-09-5 [RN]
Iristectorin B

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

Density: 1.6±0.1 g/cm3
Boiling Point: 811.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.7±3.0 kJ/mol
Flash Point: 280.5±27.8 °C
Index of Refraction: 1.676
Molar Refractivity: 117.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.05
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.49
ACD/LogD (pH 7.4): -1.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.19
Polar Surface Area: 185 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 80.1±3.0 dyne/cm
Molar Volume: 311.2±3.0 cm3

Click to predict properties on the Chemicalize site


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