ChemSpider 2D Image | 5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-beta-D-mannopyranosyl-beta-D-allopyranoside | C28H32O16

5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-β-D-mannopyranosyl-β-D-allopyranoside

  • Molecular FormulaC28H32O16
  • Average mass624.544 Da
  • Monoisotopic mass624.169006 Da
  • ChemSpider ID4677980

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-O-β-D-Mannopyranosyl-β-D-allopyranoside de 5-hydroxy-2-(4-hydroxy-3-méthoxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-((2-O-β-D-mannopyranosyl-β-D-allopyranosyl)oxy)-
4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(2-O-β-D-mannopyranosyl-β-D-allopyranosyl)oxy]- [ACD/Index Name]
5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-β-D-mannopyranosyl-β-D-allopyranoside [ACD/IUPAC Name]
5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl-2-O-β-D-mannopyranosyl-β-D-allopyranosid [German] [ACD/IUPAC Name]
5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-((2-O-β-D-mannopyranosyl-β-D-allopyranosyl)oxy)-4H-1-benzopyran-4-one
137809-96-2 [RN]
C-7-Mpap
Chrysoeriol-7-O-(2''-O-mannopyranosyl)allopyranoside
CHRYSOERIOL-7-O-(2'-O-MANNOPYRANOSYL)ALLOPYRANOSIDE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 976.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.0±3.0 kJ/mol
Flash Point: 320.5±27.8 °C
Index of Refraction: 1.729
Molar Refractivity: 143.2±0.4 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.78
ACD/LogD (pH 5.5): -1.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.39
ACD/LogD (pH 7.4): -2.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 255 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 110.8±5.0 dyne/cm
Molar Volume: 359.1±5.0 cm3

Click to predict properties on the Chemicalize site


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