ChemSpider 2D Image | 9-Hydroxy-6-(4-hydroxy-3-methoxyphenyl)-8-oxo-8H-[1,3]dioxolo[4,5-g]chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside | C29H32O17

9-Hydroxy-6-(4-hydroxy-3-methoxyphenyl)-8-oxo-8H-[1,3]dioxolo[4,5-g]chromen-7-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

  • Molecular FormulaC29H32O17
  • Average mass652.554 Da
  • Monoisotopic mass652.163940 Da
  • ChemSpider ID59001480

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de 9-hydroxy-6-(4-hydroxy-3-méthoxyphényl)-8-oxo-8H-[1,3]dioxolo[4,5-g]chromén-7-yle [French] [ACD/IUPAC Name]
8H-1,3-Dioxolo[4,5-g][1]benzopyran-8-one, 7-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-9-hydroxy-6-(4-hydroxy-3-methoxyphenyl)- [ACD/Index Name]
9-Hydroxy-6-(4-hydroxy-3-methoxyphenyl)-8-oxo-8H-[1,3]dioxolo[4,5-g]chromen-7-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside [ACD/IUPAC Name]
9-Hydroxy-6-(4-hydroxy-3-methoxyphenyl)-8-oxo-8H-[1,3]dioxolo[4,5-g]chromen-7-yl-2-O-(6-desoxy-α-L-mannopyranosyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 958.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.2±3.0 kJ/mol
Flash Point: 313.1±27.8 °C
Index of Refraction: 1.728
Molar Refractivity: 147.5±0.4 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.19
ACD/KOC (pH 5.5): 36.32
ACD/LogD (pH 7.4): -0.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.79
Polar Surface Area: 253 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 108.0±5.0 dyne/cm
Molar Volume: 370.3±5.0 cm3

Click to predict properties on the Chemicalize site


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