ChemSpider 2D Image | (2S,4R)-5-(beta-D-Glucopyranosyloxy)-4-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-chromen-7-yl beta-D-glucopyranoside | C30H40O15

(2S,4R)-5-(β-D-Glucopyranosyloxy)-4-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-chromen-7-yl β-D-glucopyranoside

  • Molecular FormulaC30H40O15
  • Average mass640.630 Da
  • Monoisotopic mass640.236694 Da
  • ChemSpider ID23310914

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(2S,4R)-5-(β-D-Glucopyranosyloxy)-4-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-chromen-7-yl β-D-glucopyranoside [ACD/IUPAC Name]
(2S,4R)-5-(β-D-Glucopyranosyloxy)-4-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-chromen-7-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (2S,4R)-5-(β-D-glucopyranosyloxy)-4-hydroxy-2-(4-méthoxyphényl)-6,8-diméthyl-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (2S,4R)-5-(β-D-glucopyranosyloxy)-3,4-dihydro-4-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-2H-1-benzopyran-7-yl [ACD/Index Name]
(2S,3R,4S,5S,6R)-2-((2S,4R)-4-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yloxy)chroman-7-yloxy)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
Eruberin B
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL398859/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 894.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.2±3.0 kJ/mol
Flash Point: 494.8±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 153.8±0.3 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -0.68
ACD/LogD (pH 5.5): -1.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.64
ACD/LogD (pH 7.4): -1.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.64
Polar Surface Area: 237 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 69.4±3.0 dyne/cm
Molar Volume: 419.2±3.0 cm3

Click to predict properties on the Chemicalize site


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