ChemSpider 2D Image | 3-{[4-O-(6-Deoxy-alpha-D-mannopyranosyl)-beta-L-glucopyranosyl]oxy}-5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside | C34H42O20

3-{[4-O-(6-Deoxy-α-D-mannopyranosyl)-β-L-glucopyranosyl]oxy}-5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl β-D-glucopyranoside

  • Molecular FormulaC34H42O20
  • Average mass770.685 Da
  • Monoisotopic mass770.226929 Da
  • ChemSpider ID8298774
  • defined stereocentres - 15 of 15 defined stereocentres


More details:






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

3-{[4-O-(6-Deoxy-α-D-mannopyranosyl)-β-L-glucopyranosyl]oxy}-5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl β-D-glucopyranoside [ACD/IUPAC Name]
3-{[4-O-(6-Desoxy-α-D-mannopyranosyl)-β-L-glucopyranosyl]oxy}-5-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[[4-O-(6-deoxy-α-D-mannopyranosyl)-β-L-glucopyranosyl]oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)- [ACD/Index Name]
β-D-Glucopyranoside de 3-{[4-O-(6-désoxy-α-D-mannopyranosyl)-β-L-glucopyranosyl]oxy}-5-hydroxy-2-(4-méthoxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 1084.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 166.6±3.0 kJ/mol
Flash Point: 338.7±27.8 °C
Index of Refraction: 1.715
Molar Refractivity: 175.2±0.4 cm3
#H bond acceptors: 20
#H bond donors: 11
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 0.59
ACD/LogD (pH 5.5): -1.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.01
ACD/LogD (pH 7.4): -2.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 313 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 108.4±5.0 dyne/cm
Molar Volume: 445.8±5.0 cm3

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