Found 17 results

Search term: MF = 'C_{32}H_{26}O_{11}'
ChemSpider 2D Image | (2R,3R)-3,5-Dihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-oxo-3,4-dihydro-2H-chromen-7-yl benzoate | C32H26O11

(2R,3R)-3,5-Dihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-oxo-3,4-dihydro-2H-chromen-7-yl benzoate

  • Molecular FormulaC32H26O11
  • Average mass586.542 Da
  • Monoisotopic mass586.147522 Da
  • ChemSpider ID90657877

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(2R,3R)-3,5-Dihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-oxo-3,4-dihydro-2H-chromen-7-yl benzoate [ACD/IUPAC Name]
(2R,3R)-3,5-Dihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-oxo-3,4-dihydro-2H-chromen-7-yl-benzoat [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-(benzoyloxy)-2-[2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl]-2,3-dihydro-3,5-dihydroxy-, (2R,3R)- [ACD/Index Name]
Benzoate de (2R,3R)-3,5-dihydroxy-2-[3-(4-hydroxy-3-méthoxyphényl)-2-(hydroxyméthyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-oxo-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 848.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.2±3.0 kJ/mol
Flash Point: 279.2±27.8 °C
Index of Refraction: 1.670
Molar Refractivity: 149.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1150.77
ACD/KOC (pH 5.5): 5325.35
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 234.13
ACD/KOC (pH 7.4): 1083.49
Polar Surface Area: 161 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 66.8±3.0 dyne/cm
Molar Volume: 400.9±3.0 cm3

Click to predict properties on the Chemicalize site


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