ChemSpider 2D Image | (2R,3R)-3,5-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(4-hydroxy-2-methylenebutanoyl)-beta-D-glucopyranoside | C26H28O13

(2R,3R)-3,5-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(4-hydroxy-2-methylenebutanoyl)-β-D-glucopyranoside

  • Molecular FormulaC26H28O13
  • Average mass548.493 Da
  • Monoisotopic mass548.153015 Da
  • ChemSpider ID552758

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2R,3R)-3,5-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(4-hydroxy-2-methylenebutanoyl)-β-D-glucopyranoside [ACD/IUPAC Name]
(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl rel-6-O-(4-hydroxy-2-methylenebutanoyl)-β-D-glucopyranoside
(2R,3R)-3,5-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl-6-O-(4-hydroxy-2-methylenbutanoyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-3,5-dihydroxy-7-[[6-O-(4-hydroxy-2-methylene-1-oxobutyl)-β-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-, (2R,3R)- [ACD/Index Name]
6-O-(4-Hydroxy-2-méthylènebutanoyl)-β-D-glucopyranoside de (2R,3R)-3,5-dihydroxy-2-(4-hydroxyphényl)-4-oxo-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]
2R,3R-trans-Aromadendrin-7-O-β-D-glucopyranose-6''-(4'''-hydroxy-2'''-methylene butanoate)

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

Density: 1.6±0.1 g/cm3
Boiling Point: 909.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.5±3.0 kJ/mol
Flash Point: 305.5±27.8 °C
Index of Refraction: 1.667
Molar Refractivity: 130.2±0.3 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 3.52
ACD/KOC (pH 5.5): 84.90
ACD/LogD (pH 7.4): 0.51
ACD/BCF (pH 7.4): 1.07
ACD/KOC (pH 7.4): 25.84
Polar Surface Area: 213 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 82.5±3.0 dyne/cm
Molar Volume: 349.8±3.0 cm3

Click to predict properties on the Chemicalize site


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