ChemSpider 2D Image | 7-[(6-Deoxy-L-mannopyranosyl)oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-3-yl alpha-D-allopyranoside | C28H34O16

7-[(6-Deoxy-L-mannopyranosyl)oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-3-yl α-D-allopyranoside

  • Molecular FormulaC28H34O16
  • Average mass626.560 Da
  • Monoisotopic mass626.184692 Da
  • ChemSpider ID28283788

  • defined stereocentres - 9 of 12 defined stereocentres

More details:

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4H-1-Benzopyran-4-one, 3-(α-D-allopyranosyloxy)-7-[(6-deoxy-L-mannopyranosyl)oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)- [ACD/Index Name]
7-[(6-Deoxy-L-mannopyranosyl)oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-3-yl α-D-allopyranoside [ACD/IUPAC Name]
7-[(6-Desoxy-L-mannopyranosyl)oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-3-yl-α-D-allopyranosid [German] [ACD/IUPAC Name]
α-D-Allopyranoside de 7-[(6-désoxy-L-mannopyranosyl)oxy]-5-hydroxy-2-(3-hydroxy-4-méthoxyphényl)-4-oxo-3,4-dihydro-2H-chromén-3-yle [French] [ACD/IUPAC Name]
tamarixetin 3-O-b-glucopyranoside-7-O-a-rhamnopyranoside

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

Density: 1.7±0.1 g/cm3
Boiling Point: 956.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.9±3.0 kJ/mol
Flash Point: 313.3±27.8 °C
Index of Refraction: 1.710
Molar Refractivity: 143.5±0.4 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.73
ACD/LogD (pH 5.5): -1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.27
ACD/LogD (pH 7.4): -1.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.70
Polar Surface Area: 255 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 105.7±5.0 dyne/cm
Molar Volume: 367.1±5.0 cm3

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