ChemSpider 2D Image | Isohemiphloin | C21H22O10

Isohemiphloin

  • Molecular FormulaC21H22O10
  • Average mass434.393 Da
  • Monoisotopic mass434.121307 Da
  • ChemSpider ID24846343

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-[(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-8-yl]-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-8-yl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[(2S)-5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-3,4-dihydro-2H-chromén-8-yl]-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-[(2S)-3,4-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2H-1-benzopyran-8-yl]-, (1S)- [ACD/Index Name]
Isohemiphloin
(1S)-1,5-anhydro-1-[(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl]-D-glucitol
(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one
(2S)-8-β-D-Glucopyranosyl-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
(S)-8-β-D-glucopyranosyl-4',5,7-trihydroxyflavanone
3682-02-8 [RN]
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  • Miscellaneous

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

Density: 1.6±0.1 g/cm3
Boiling Point: 785.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.8±3.0 kJ/mol
Flash Point: 278.5±26.4 °C
Index of Refraction: 1.715
Molar Refractivity: 104.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 4.27
ACD/KOC (pH 5.5): 97.11
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.79
Polar Surface Area: 177 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 92.9±3.0 dyne/cm
Molar Volume: 265.1±3.0 cm3

Click to predict properties on the Chemicalize site


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