ChemSpider 2D Image | 7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->6)-[beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranoside | C39H50O24

7-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-α-L-mannopyranosyl-(1->6)-[β-D-glucopyranosyl-(1->2)]-β-D-glucopyranoside

  • Molecular FormulaC39H50O24
  • Average mass902.800 Da
  • Monoisotopic mass902.269226 Da
  • ChemSpider ID115269917

  • defined stereocentres - 20 of 20 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 3-[[O-6-deoxy-α-L-mannopyranosyl-(1->6)-O-[β-D-glucopyranosyl-(1->2)]-β-D-glucopyranosyl]oxy]-7-[(6-deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
6-Désoxy-α-L-mannopyranosyl-(1->6)-[β-D-glucopyranosyl-(1->2)]-β-D-glucopyranoside de 7-[(6-désoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
7-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-α-L-mannopyranosyl-(1->6)-[β-D-glucopyranosyl-(1->2)]-β-D-glucopyranoside [ACD/IUPAC Name]
7-[(6-Desoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl-6-desoxy-α-L-mannopyranosyl-(1->6)-[β-D-glucopyranosyl-(1->2)]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Kaempferol 3-(2G-glucosylrutinoside)-7-rhamnoside
missing

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1205.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 187.5±3.0 kJ/mol
Flash Point: 363.3±27.8 °C
Index of Refraction: 1.731
Molar Refractivity: 202.5±0.4 cm3
#H bond acceptors: 24
#H bond donors: 14
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -1.24
ACD/LogD (pH 5.5): -2.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 383 Å2
Polarizability: 80.3±0.5 10-24cm3
Surface Tension: 117.8±5.0 dyne/cm
Molar Volume: 507.1±5.0 cm3

Click to predict properties on the Chemicalize site


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