Found 5 results

Search term: MF = 'C_{33}H_{26}O_{13}'
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 1,3-benzodioxole-5-carboxylate | C33H26O13

{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 1,3-benzodioxole-5-carboxylate

  • Molecular FormulaC33H26O13
  • Average mass630.552 Da
  • Monoisotopic mass630.137329 Da
  • ChemSpider ID24648446

  • 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 1,3-benzodioxole-5-carboxylate [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-1,3-benzodioxol-5-carboxylat [German] [ACD/IUPAC Name]
1,3-Benzodioxole-5-carboxylate 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]
1,3-Benzodioxole-5-carboxylic acid, [6-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-4-oxo-2H-1-benzopyran-2-yl]-2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-1,4-benzodioxin-2-yl]methyl ester [ACD/Index 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: 883.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.5±3.0 kJ/mol
Flash Point: 288.5±27.8 °C
Index of Refraction: 1.682
Molar Refractivity: 155.9±0.3 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 521.62
ACD/KOC (pH 5.5): 3044.89
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 169.27
ACD/KOC (pH 7.4): 988.08
Polar Surface Area: 180 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 70.6±3.0 dyne/cm
Molar Volume: 411.9±3.0 cm3

Click to predict properties on the Chemicalize site


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