ChemSpider 2D Image | Xanthorhamnin | C34H42O20

Xanthorhamnin

  • Molecular FormulaC34H42O20
  • Average mass770.685 Da
  • Monoisotopic mass770.226929 Da
  • ChemSpider ID4508511
  • defined stereocentres - 15 of 15 defined stereocentres


More details:






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

2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-4H-chromen-3-yl 6-deoxy-α-L-mannopyranosyl-(1->3)-6-deoxy-α-L-mannopyranosyl-(1->6)-β-D-galactopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-4H-chromen-3-yl-6-desoxy-α-L-mannopyranosyl-(1->3)-6-desoxy-α-L-mannopyranosyl-(1->6)-β-D-galactopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[[O-6-deoxy-α-L-mannopyranosyl-(1->3)-O-6-deoxy-α-L-mannopyranosyl-(1->6)-β-D-galactopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy- [ACD/Index Name]
6-Désoxy-α-L-mannopyranosyl-(1->3)-6-désoxy-α-L-mannopyranosyl-(1->6)-β-D-galactopyranoside de 2-(3,4-dihydroxyphényl)-5-hydroxy-7-méthoxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
7-Methylquercetin-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Xanthorhamnin [Wiki]
75183-90-3 [RN]

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

NSC19804 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1097.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 168.8±3.0 kJ/mol
Flash Point: 342.7±27.8 °C
Index of Refraction: 1.716
Molar Refractivity: 175.2±0.4 cm3
#H bond acceptors: 20
#H bond donors: 11
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.94
ACD/LogD (pH 7.4): -1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.35
Polar Surface Area: 313 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 108.4±5.0 dyne/cm
Molar Volume: 445.3±5.0 cm3

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