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)-4-({[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]oxy}methyl)-3,4-dihydroxytetrahydro-2 -furanyl]-beta-D-glucopyranoside | C33H42O19

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

  • Molecular FormulaC33H42O19
  • Average mass742.675 Da
  • Monoisotopic mass742.232056 Da
  • ChemSpider ID29416171

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

2-O-[(2S,3R,4R)-4-({[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]oxy}méthyl)-3,4-dihydroxytétrahydro-2-furanyl]-β-D-glucopyranoside de 4-[(2S)-5-hydroxy-7-méthoxy-4-oxo-3,4-dihyd ro-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)-4-({[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]oxy}methyl)-3,4-dihydroxytetrahydro-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)-4-({[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]oxy}methyl)-3,4-dihydroxytetrahydro-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-[[[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]oxy]methyl]-2-fura ;nyl]-β-D-glucopyranosyl]oxy]phenyl]-, (2S)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1044.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 160.1±3.0 kJ/mol
Flash Point: 328.6±27.8 °C
Index of Refraction: 1.688
Molar Refractivity: 169.9±0.4 cm3
#H bond acceptors: 19
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.09
ACD/KOC (pH 5.5): 36.82
ACD/LogD (pH 7.4): 0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.21
Polar Surface Area: 282 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 99.0±5.0 dyne/cm
Molar Volume: 445.6±5.0 cm3

Click to predict properties on the Chemicalize site


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