ChemSpider 2D Image | 4-[(2S)-7-(beta-D-Glucopyranosyloxy)-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl beta-D-glucopyranoside | C27H32O14

4-[(2S)-7-(β-D-Glucopyranosyloxy)-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl β-D-glucopyranoside

  • Molecular FormulaC27H32O14
  • Average mass580.535 Da
  • Monoisotopic mass580.179199 Da
  • ChemSpider ID65061219

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

4-[(2S)-7-(β-D-Glucopyranosyloxy)-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-[(2S)-7-(β-D-Glucopyranosyloxy)-4-oxo-3,4-dihydro-2H-chromen-2-yl]phenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-2-[4-(β-D-glucopyranosyloxy)phenyl]-2,3-dihydro-, (2S)- [ACD/Index Name]
93446-18-5 [RN]
β-D-Glucopyranoside de 4-[(2S)-7-(β-D-glucopyranosyloxy)-4-oxo-3,4-dihydro-2H-chromén-2-yl]phényle [French] [ACD/IUPAC Name]
(2S)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
Glucoliquiritin

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

Density: 1.6±0.1 g/cm3
Boiling Point: 914.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.3±3.0 kJ/mol
Flash Point: 304.0±27.8 °C
Index of Refraction: 1.675
Molar Refractivity: 136.0±0.3 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -1.93
ACD/LogD (pH 5.5): -1.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.27
ACD/LogD (pH 7.4): -1.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.27
Polar Surface Area: 225 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 86.8±3.0 dyne/cm
Molar Volume: 362.1±3.0 cm3

Click to predict properties on the Chemicalize site


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