ChemSpider 2D Image | 3-(4-Methoxyphenyl)-4-oxo-4H-chromen-7-yl 2,6-di-O-acetyl-beta-D-glucopyranoside | C26H26O11

3-(4-Methoxyphenyl)-4-oxo-4H-chromen-7-yl 2,6-di-O-acetyl-β-D-glucopyranoside

  • Molecular FormulaC26H26O11
  • Average mass514.478 Da
  • Monoisotopic mass514.147522 Da
  • ChemSpider ID8383390

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2,6-Di-O-acétyl-β-D-glucopyranoside de 3-(4-méthoxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
3-(4-Methoxyphenyl)-4-oxo-4H-chromen-7-yl 2,6-di-O-acetyl-β-D-glucopyranoside [ACD/IUPAC Name]
3-(4-Methoxyphenyl)-4-oxo-4H-chromen-7-yl-2,6-di-O-acetyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[(2,6-di-O-acetyl-β-D-glucopyranosyl)oxy]-3-(4-methoxyphenyl)- [ACD/Index Name]
2' ',6' '-O-diacetyloninin
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL464654/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 688.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 230.1±25.0 °C
Index of Refraction: 1.622
Molar Refractivity: 125.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 16.56
ACD/KOC (pH 5.5): 259.59
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 16.56
ACD/KOC (pH 7.4): 259.59
Polar Surface Area: 147 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 66.7±5.0 dyne/cm
Molar Volume: 356.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement