ChemSpider 2D Image | 5-(5-Hydroxy-7-methoxy-4-oxo-4H-chromen-3-yl)-2,3-dimethoxyphenyl 6-O-alpha-L-arabinofuranosyl-beta-D-glucopyranoside | C29H34O16

5-(5-Hydroxy-7-methoxy-4-oxo-4H-chromen-3-yl)-2,3-dimethoxyphenyl 6-O-α-L-arabinofuranosyl-β-D-glucopyranoside

  • Molecular FormulaC29H34O16
  • Average mass638.571 Da
  • Monoisotopic mass638.184692 Da
  • ChemSpider ID9290024

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 3-[3-[(6-O-α-L-arabinofuranosyl-β-D-glucopyranosyl)oxy]-4,5-dimethoxyphenyl]-5-hydroxy-7-methoxy- [ACD/Index Name]
5-(5-Hydroxy-7-methoxy-4-oxo-4H-chromen-3-yl)-2,3-dimethoxyphenyl 6-O-α-L-arabinofuranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
5-(5-Hydroxy-7-methoxy-4-oxo-4H-chromen-3-yl)-2,3-dimethoxyphenyl-6-O-α-L-arabinofuranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-α-L-Arabinofuranosyl-β-D-glucopyranoside de 5-(5-hydroxy-7-méthoxy-4-oxo-4H-chromén-3-yl)-2,3-diméthoxyphényle [French] [ACD/IUPAC 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: 935.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.6±3.0 kJ/mol
Flash Point: 304.6±27.8 °C
Index of Refraction: 1.682
Molar Refractivity: 148.3±0.4 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.77
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.37
ACD/LogD (pH 7.4): -1.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.46
Polar Surface Area: 233 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 91.9±5.0 dyne/cm
Molar Volume: 391.5±5.0 cm3

Click to predict properties on the Chemicalize site


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