ChemSpider 2D Image | 5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4-oxo-4H-chromen-3-yl 6-O-acetyl-beta-D-erythro-hexopyranoside | C25H26O13

5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4-oxo-4H-chromen-3-yl 6-O-acetyl-β-D-erythro-hexopyranoside

  • Molecular FormulaC25H26O13
  • Average mass534.466 Da
  • Monoisotopic mass534.137329 Da
  • ChemSpider ID24845304

  • defined stereocentres - 3 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-erythro-hexopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy- [ACD/Index Name]
5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4-oxo-4H-chromen-3-yl 6-O-acetyl-β-D-erythro-hexopyranoside [ACD/IUPAC Name]
5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4-oxo-4H-chromen-3-yl-6-O-acetyl-β-D-erythro-hexopyranosid [German] [ACD/IUPAC Name]
6-O-Acétyl-β-D-érythro-hexopyranoside de 5-hydroxy-2-(4-hydroxy-3-méthoxyphényl)-7-méthoxy-4-oxo-4H-chromén-3-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: 811.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 123.7±3.0 kJ/mol
Flash Point: 274.6±27.8 °C
Index of Refraction: 1.672
Molar Refractivity: 125.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 8.82
ACD/KOC (pH 5.5): 152.80
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.75
Polar Surface Area: 191 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 85.8±5.0 dyne/cm
Molar Volume: 334.5±5.0 cm3

Click to predict properties on the Chemicalize site


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