ChemSpider 2D Image | 4-[(2S)-7-{[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]oxy}-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl beta-D-glucopyranoside | C26H30O13

4-[(2S)-7-{[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]oxy}-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl β-D-glucopyranoside

  • Molecular FormulaC26H30O13
  • Average mass550.509 Da
  • Monoisotopic mass550.168640 Da
  • ChemSpider ID34451121

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

4-[(2S)-7-{[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]oxy}-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-[(2S)-7-{[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]oxy}-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[4-(β-D-glucopyranosyloxy)phenyl]-2,3-dihydro-7-[[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]oxy]-, (2S)- [ACD/Index Name]
β-D-Glucopyranoside de 4-[(2S)-7-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]oxy}-4-oxo-3,4-dihydro-2H-chromén-2-yl]phényle [French] [ACD/IUPAC Name]
(S)-7-(((2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-2-(4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)chroman-4-one
[199796-12-8] [RN]
199796-12-8 [RN]
Liguiritigenin-7-O-D-apiosyl-4'-O-D-glucoside
liquiritigeninyl-7-O-?-D-furanapiosyl-4'-O-?-D-glucopyranoside
LIQUIRITIN APIOSIDE
More...

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

Density: 1.6±0.1 g/cm3
Boiling Point: 889.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.4±3.0 kJ/mol
Flash Point: 299.2±27.8 °C
Index of Refraction: 1.674
Molar Refractivity: 129.7±0.3 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.85
ACD/LogD (pH 5.5): -1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.19
ACD/LogD (pH 7.4): -1.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.19
Polar Surface Area: 205 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 85.1±3.0 dyne/cm
Molar Volume: 345.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement