ChemSpider 2D Image | 6-Methoxy-2-oxo-2H-chromen-7-yl 6-O-[(2R,3R,4S)-3,4-dihydroxy-4-{[(4-hydroxy-3-methoxybenzoyl)oxy]methyl}tetrahydro-2-furanyl]-beta-D-glucopyranoside | C29H32O16

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

  • Molecular FormulaC29H32O16
  • Average mass636.555 Da
  • Monoisotopic mass636.169006 Da
  • ChemSpider ID24664109

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

6-Methoxy-2-oxo-2H-chromen-7-yl 6-O-[(2R,3R,4S)-3,4-dihydroxy-4-{[(4-hydroxy-3-methoxybenzoyl)oxy]methyl}tetrahydro-2-furanyl]-β-D-glucopyranoside [ACD/IUPAC Name]
6-Methoxy-2-oxo-2H-chromen-7-yl-6-O-[(2R,3R,4S)-3,4-dihydroxy-4-{[(4-hydroxy-3-methoxybenzoyl)oxy]methyl}tetrahydro-2-furanyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-[(2R,3R,4S)-3,4-Dihydroxy-4-{[(4-hydroxy-3-méthoxybenzoyl)oxy]méthyl}tétrahydro-2-furanyl]-β-D-glucopyranoside de 6-méthoxy-2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 6-methoxy-2-oxo-2H-1-benzopyran-7-yl 6-O-[(2R,3R,4S)-tetrahydro-3,4-dihydroxy-4-[[(4-hydroxy-3-methoxybenzoyl)oxy]methyl]-2-furanyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 918.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.9±3.0 kJ/mol
Flash Point: 299.5±27.8 °C
Index of Refraction: 1.677
Molar Refractivity: 147.2±0.4 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 1.70
ACD/LogD (pH 5.5): 0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 34.86
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 30.17
Polar Surface Area: 229 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 90.7±5.0 dyne/cm
Molar Volume: 390.8±5.0 cm3

Click to predict properties on the Chemicalize site


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