ChemSpider 2D Image | 5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-3-yl 2-O-beta-D-talopyranosyl-beta-D-mannopyranoside | C28H32O16

5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-3-yl 2-O-β-D-talopyranosyl-β-D-mannopyranoside

  • Molecular FormulaC28H32O16
  • Average mass624.544 Da
  • Monoisotopic mass624.169006 Da
  • ChemSpider ID127384203

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-O-β-D-Talopyranosyl-β-D-mannopyranoside de 5-hydroxy-2-(4-hydroxyphényl)-7-méthoxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-3-[(2-O-β-D-talopyranosyl-β-D-mannopyranosyl)oxy]- [ACD/Index Name]
5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-3-yl 2-O-β-D-talopyranosyl-β-D-mannopyranoside [ACD/IUPAC Name]
5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-3-yl-2-O-β-D-talopyranosyl-β-D-mannopyranosid [German] [ACD/IUPAC Name]
117047-50-4 [RN]
3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
Compound NP-008751

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

Density: 1.7±0.1 g/cm3
Boiling Point: 984.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.4±3.0 kJ/mol
Flash Point: 323.4±27.8 °C
Index of Refraction: 1.727
Molar Refractivity: 143.0±0.4 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.00
ACD/LogD (pH 5.5): -0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.16
ACD/LogD (pH 7.4): -2.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 255 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 109.7±5.0 dyne/cm
Molar Volume: 359.4±5.0 cm3

Click to predict properties on the Chemicalize site


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