ChemSpider 2D Image | 2-(3,5-Dihydroxy-4-methoxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl 6-O-acetyl-2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside | C29H32O17

2-(3,5-Dihydroxy-4-methoxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl 6-O-acetyl-2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside

  • Molecular FormulaC29H32O17
  • Average mass652.554 Da
  • Monoisotopic mass652.163940 Da
  • ChemSpider ID8731620

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

2-(3,5-Dihydroxy-4-methoxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl 6-O-acetyl-2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside [ACD/IUPAC Name]
2-(3,5-Dihydroxy-4-methoxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl-6-O-acetyl-2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[[6-O-acetyl-2-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-β-D-glucopyranosyl]oxy]-2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy- [ACD/Index Name]
6-O-Acétyl-2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-β-D-glucopyranoside de 2-(3,5-dihydroxy-4-méthoxyphényl)-5-hydroxy-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
missing

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

Density: 1.7±0.1 g/cm3
Boiling Point: 985.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.6±3.0 kJ/mol
Flash Point: 320.9±27.8 °C
Index of Refraction: 1.712
Molar Refractivity: 148.3±0.4 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 30.63
ACD/LogD (pH 7.4): -0.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.70
Polar Surface Area: 261 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 105.7±5.0 dyne/cm
Molar Volume: 378.7±5.0 cm3

Click to predict properties on the Chemicalize site


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