ChemSpider 2D Image | 2-(3,5-Dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 4-O-alpha-L-threo-hexopyranosyl-alpha-L-glycero-hexopyranoside | C28H32O18

2-(3,5-Dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 4-O-α-L-threo-hexopyranosyl-α-L-glycero-hexopyranoside

  • Molecular FormulaC28H32O18
  • Average mass656.543 Da
  • Monoisotopic mass656.158875 Da
  • ChemSpider ID24845185

  • defined stereocentres - 5 of 10 defined stereocentres

More details:

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

2-(3,5-Dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 4-O-α-L-threo-hexopyranosyl-α-L-glycero-hexopyranoside [ACD/IUPAC Name]
2-(3,5-Dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl-4-O-α-L-threo-hexopyranosyl-α-L-glycero-hexopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,5-dihydroxy-4-methoxyphenyl)-3-[(4-O-α-L-threo-hexopyranosyl-α-L-glycero-hexopyranosyl)oxy]-5,7-dihydroxy- [ACD/Index Name]
4-O-α-L-thréo-Hexopyranosyl-α-L-glycéro-hexopyranoside de 2-(3,5-dihydroxy-4-méthoxyphényl)-5,7-dihydroxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1076.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 165.4±3.0 kJ/mol
Flash Point: 350.9±27.8 °C
Index of Refraction: 1.766
Molar Refractivity: 146.1±0.4 cm3
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.54
ACD/LogD (pH 5.5): -1.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.54
ACD/LogD (pH 7.4): -3.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 295 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 130.9±5.0 dyne/cm
Molar Volume: 352.8±5.0 cm3

Click to predict properties on the Chemicalize site


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