ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5-hydroxy-3-methoxy-4-oxo-4H-chromen-7-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-6-deoxy-alpha-L-mannopyranosyl-(1->6)-[beta-D-xylopyranosyl-(1->2)]-beta-D-glucopyranoside | C39H50O24

2-(3,4-Dihydroxyphenyl)-5-hydroxy-3-methoxy-4-oxo-4H-chromen-7-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-6-deoxy-α-L-mannopyranosyl-(1->6)-[β-D-xylopyranosyl-(1->2)]-β-D-glucopyranoside

  • Molecular FormulaC39H50O24
  • Average mass902.800 Da
  • Monoisotopic mass902.269226 Da
  • ChemSpider ID8899749

  • defined stereocentres - 19 of 19 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-5-hydroxy-3-methoxy-4-oxo-4H-chromen-7-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-6-deoxy-α-L-mannopyranosyl-(1->6)-[β-D-xylopyranosyl-(1->2)]-β-D-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5-hydroxy-3-methoxy-4-oxo-4H-chromen-7-yl-6-desoxy-α-L-mannopyranosyl-(1->2)-6-desoxy-α-L-mannopyranosyl-(1->6)-[β-D-xylopyranosyl-(1->2)]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[[O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-6-deoxy-α-L-mannopyranosyl-(1->6)-O-[β-D-xylopyranosyl-(1->2)]-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy- 3-methoxy- [ACD/Index Name]
6-Désoxy-α-L-mannopyranosyl-(1->2)-6-désoxy-α-L-mannopyranosyl-(1->6)-[β-D-xylopyranosyl-(1->2)]-β-D-glucopyranoside de 2-(3,4-dihydroxyphényl)-5-hydroxy-3-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: 1.8±0.1 g/cm3
Boiling Point: 1190.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 184.8±3.0 kJ/mol
Flash Point: 358.6±27.8 °C
Index of Refraction: 1.718
Molar Refractivity: 202.8±0.4 cm3
#H bond acceptors: 24
#H bond donors: 13
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 1.84
ACD/LogD (pH 5.5): -0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.38
ACD/LogD (pH 7.4): -1.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 372 Å2
Polarizability: 80.4±0.5 10-24cm3
Surface Tension: 111.9±5.0 dyne/cm
Molar Volume: 514.7±5.0 cm3

Click to predict properties on the Chemicalize site


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