ChemSpider 2D Image | 2-(2-Hydroxyphenyl)-3,6,7-trimethoxy-4-oxo-4H-chromen-5-yl 4-O-beta-D-xylopyranosyl-beta-D-glucopyranoside | C29H34O16

2-(2-Hydroxyphenyl)-3,6,7-trimethoxy-4-oxo-4H-chromen-5-yl 4-O-β-D-xylopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC29H34O16
  • Average mass638.571 Da
  • Monoisotopic mass638.184692 Da
  • ChemSpider ID9540631

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

2-(2-Hydroxyphenyl)-3,6,7-trimethoxy-4-oxo-4H-chromen-5-yl 4-O-β-D-xylopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
2-(2-Hydroxyphenyl)-3,6,7-trimethoxy-4-oxo-4H-chromen-5-yl-4-O-β-D-xylopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(2-hydroxyphenyl)-3,6,7-trimethoxy-5-[(4-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]- [ACD/Index Name]
4-O-β-D-Xylopyranosyl-β-D-glucopyranoside de 2-(2-hydroxyphényl)-3,6,7-triméthoxy-4-oxo-4H-chromén-5-yle [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: 926.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.1±3.0 kJ/mol
Flash Point: 301.4±27.8 °C
Index of Refraction: 1.680
Molar Refractivity: 148.1±0.4 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.19
ACD/LogD (pH 5.5): -0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.92
ACD/LogD (pH 7.4): -0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.90
Polar Surface Area: 233 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 91.0±5.0 dyne/cm
Molar Volume: 391.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement