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Search term: PYPKJBUJNZMSTH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl 6-O-(6-deoxy-alpha-L-erythro-hexopyranosyl)-beta-D-threo-hexopyranoside | C29H34O16

5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl 6-O-(6-deoxy-α-L-erythro-hexopyranosyl)-β-D-threo-hexopyranoside

  • Molecular FormulaC29H34O16
  • Average mass638.571 Da
  • Monoisotopic mass638.184692 Da
  • ChemSpider ID24844148

  • defined stereocentres - 6 of 10 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-α-L-erythro-hexopyranosyl)-β-D-threo-hexopyranosyl]oxy]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy- [ACD/Index Name]
5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl 6-O-(6-deoxy-α-L-erythro-hexopyranosyl)-β-D-threo-hexopyranoside [ACD/IUPAC Name]
5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl-6-O-(6-desoxy-α-L-erythro-hexopyranosyl)-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
6-O-(6-Désoxy-α-L-érythro-hexopyranosyl)-β-D-thréo-hexopyranoside de 5-hydroxy-2-(4-hydroxy-3-méthoxyphényl)-6-méthoxy-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 935.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.5±3.0 kJ/mol
Flash Point: 304.4±27.8 °C
Index of Refraction: 1.699
Molar Refractivity: 148.1±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.37
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.66
ACD/LogD (pH 7.4): -1.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 244 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 98.1±5.0 dyne/cm
Molar Volume: 383.4±5.0 cm3

Click to predict properties on the Chemicalize site


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