Found 17 results

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

{3-(4-Hydroxy-3-methoxyphenyl)-6-[(2R,3R)-3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-2,3-dihydro-1,4-benzodioxin-2-yl}methyl benzoate

  • Molecular FormulaC32H26O11
  • Average mass586.542 Da
  • Monoisotopic mass586.147522 Da
  • ChemSpider ID24647729

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

{3-(4-Hydroxy-3-methoxyphenyl)-6-[(2R,3R)-3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-2,3-dihydro-1,4-benzodioxin-2-yl}methyl benzoate [ACD/IUPAC Name]
{3-(4-Hydroxy-3-methoxyphenyl)-6-[(2R,3R)-3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-2,3-dihydro-1,4-benzodioxin-2-yl}methyl-benzoat [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[2-[(benzoyloxy)methyl]-2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-1,4-benzodioxin-6-yl]-2,3-dihydro-3,5,7-trihydroxy-, (2R,3R)- [ACD/Index Name]
Benzoate de {3-(4-hydroxy-3-méthoxyphényl)-6-[(2R,3R)-3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-chromén-2-yl]-2,3-dihydro-1,4-benzodioxin-2-yl}méthyle [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: 836.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.3±3.0 kJ/mol
Flash Point: 274.9±27.8 °C
Index of Refraction: 1.671
Molar Refractivity: 149.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1109.67
ACD/KOC (pH 5.5): 5226.79
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 360.09
ACD/KOC (pH 7.4): 1696.11
Polar Surface Area: 161 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 66.9±3.0 dyne/cm
Molar Volume: 400.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement