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

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

  • Molecular FormulaC39H50O24
  • Average mass902.800 Da
  • Monoisotopic mass902.269226 Da
  • ChemSpider ID129306942

  • defined stereocentres - 20 of 20 defined stereocentres

More details:

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

3-{[6-Deoxy-4-O-(β-D-glucopyranosyl)-α-L-mannopyranosyl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-deoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranoside [ACD/IUPAC Name]
3-{[6-Desoxy-4-O-(β-D-glucopyranosyl)-α-L-mannopyranosyl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-6-desoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3,7-bis[(6-deoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
6-Désoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranoside de 3-{[6-désoxy-4-O-(β-D-glucopyranosyl)-α-L-mannopyranosyl]oxy}-5-hydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
1392495-12-3 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1209.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 188.0±3.0 kJ/mol
Flash Point: 364.2±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: -3.14
ACD/LogD (pH 5.5): -3.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.05
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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