ChemSpider 2D Image | 4-[(2S)-5-Hydroxy-7-methoxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-2-methoxyphenyl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside | C28H34O15

4-[(2S)-5-Hydroxy-7-methoxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-2-methoxyphenyl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside

  • Molecular FormulaC28H34O15
  • Average mass610.561 Da
  • Monoisotopic mass610.189758 Da
  • ChemSpider ID8754992
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

2-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-β-D-glucopyranoside de 4-[(2S)-5-hydroxy-7-méthoxy-4-oxo-3,4-dihydro-2H-chromén-2-yl]-2-méthoxyphényle [French] [ACD/IUPAC Name]
4-[(2S)-5-Hydroxy-7-methoxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-2-methoxyphenyl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside [ACD/IUPAC Name]
4-[(2S)-5-Hydroxy-7-methoxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-2-methoxyphenyl-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, 2,3-dihydro-5-hydroxy-7-methoxy-2-[3-methoxy-4-[[2-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-β-D-glucopyranosyl]oxy]phenyl]-, (2S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 923.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.7±3.0 kJ/mol
Flash Point: 303.4±27.8 °C
Index of Refraction: 1.680
Molar Refractivity: 142.3±0.4 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.07
ACD/KOC (pH 5.5): 36.35
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.98
Polar Surface Area: 223 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 92.4±5.0 dyne/cm
Molar Volume: 376.6±5.0 cm3

Click to predict properties on the Chemicalize site






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