ChemSpider 2D Image | 6-Methoxy-2-oxo-2H-chromen-7-yl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-{[(4-hydroxy-3-methoxybenzyl)oxy]methyl}tetrahydro-2-furanyl]-beta-D-glucopyranoside | C29H34O15

6-Methoxy-2-oxo-2H-chromen-7-yl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-{[(4-hydroxy-3-methoxybenzyl)oxy]methyl}tetrahydro-2-furanyl]-β-D-glucopyranoside

  • Molecular FormulaC29H34O15
  • Average mass622.571 Da
  • Monoisotopic mass622.189758 Da
  • ChemSpider ID24682988

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

2H-1-Benzopyran-2-one, 6-methoxy-7-[[2-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-[[(4-hydroxy-3-methoxyphenyl)methoxy]methyl]-2-furanyl]-β-D-glucopyranosyl]oxy]- [ACD/Index Name]
2-O-[(2S,3R,4R)-3,4-Dihydroxy-4-{[(4-hydroxy-3-méthoxybenzyl)oxy]méthyl}tétrahydro-2-furanyl]-β-D-glucopyranoside de 6-méthoxy-2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
6-Methoxy-2-oxo-2H-chromen-7-yl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-{[(4-hydroxy-3-methoxybenzyl)oxy]methyl}tetrahydro-2-furanyl]-β-D-glucopyranoside [ACD/IUPAC Name]
6-Methoxy-2-oxo-2H-chromen-7-yl-2-O-[(2S,3R,4R)-3,4-dihydroxy-4-{[(4-hydroxy-3-methoxybenzyl)oxy]methyl}tetrahydro-2-furanyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1076761/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 892.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.8±3.0 kJ/mol
Flash Point: 290.9±27.8 °C
Index of Refraction: 1.669
Molar Refractivity: 147.0±0.4 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.74
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.58
Polar Surface Area: 212 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 86.2±5.0 dyne/cm
Molar Volume: 394.1±5.0 cm3

Click to predict properties on the Chemicalize site


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