ChemSpider 2D Image | 5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-3-yl 6-O-acetyl-beta-D-glucopyranoside | C24H24O12

5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-3-yl 6-O-acetyl-β-D-glucopyranoside

  • Molecular FormulaC24H24O12
  • Average mass504.440 Da
  • Monoisotopic mass504.126770 Da
  • ChemSpider ID4589279

  • 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, 3-((6-O-acetyl-β-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-
4H-1-Benzopyran-4-one, 3-[(6-O-acetyl-β-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy- [ACD/Index Name]
5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-3-yl 6-O-acetyl-β-D-glucopyranoside [ACD/IUPAC Name]
5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-3-yl-6-O-acetyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-Acétyl-β-D-glucopyranoside de 5-hydroxy-2-(4-hydroxyphényl)-7-méthoxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
123442-25-1 [RN]
Neocomplanoside
Rhamnocitrin 3-(6''-acetylglucoside)

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

Density: 1.6±0.1 g/cm3
Boiling Point: 796.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.5±3.0 kJ/mol
Flash Point: 273.1±26.4 °C
Index of Refraction: 1.685
Molar Refractivity: 118.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 10.67
ACD/KOC (pH 5.5): 175.99
ACD/LogD (pH 7.4): 0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.45
Polar Surface Area: 181 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 88.3±5.0 dyne/cm
Molar Volume: 312.9±5.0 cm3

Click to predict properties on the Chemicalize site


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