ChemSpider 2D Image | (2S,3R)-3,5-Dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl beta-D-glucopyranoside | C21H24O10

(2S,3R)-3,5-Dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl β-D-glucopyranoside

  • Molecular FormulaC21H24O10
  • Average mass436.409 Da
  • Monoisotopic mass436.136932 Da
  • ChemSpider ID64892241

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2S,3R)-3,5-Dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl β-D-glucopyranoside [ACD/IUPAC Name]
(2S,3R)-3,5-Dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (2S,3R)-3,5-dihydroxy-2-(4-hydroxyphényl)-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (2S,3R)-3,4-dihydro-3,5-dihydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-7-yl [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 781.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.3±3.0 kJ/mol
Flash Point: 426.7±32.9 °C
Index of Refraction: 1.702
Molar Refractivity: 105.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.79
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.68
ACD/LogD (pH 7.4): -0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.50
Polar Surface Area: 169 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 81.4±3.0 dyne/cm
Molar Volume: 272.4±3.0 cm3

Click to predict properties on the Chemicalize site


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