ChemSpider 2D Image | 6-Methoxy-5-(methoxymethoxy)-2-{[(6aS,11aS)-9-methoxy-3-(methoxymethoxy)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-yl]methyl}-3-phenyl-2,3-dihydro-1-benzofuran-3-ol | C36H36O10

6-Methoxy-5-(methoxymethoxy)-2-{[(6aS,11aS)-9-methoxy-3-(methoxymethoxy)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-yl]methyl}-3-phenyl-2,3-dihydro-1-benzofuran-3-ol

  • Molecular FormulaC36H36O10
  • Average mass628.665 Da
  • Monoisotopic mass628.230835 Da
  • ChemSpider ID8637053

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

3-Benzofuranol, 2-[[(6aS,11aS)-6a,11a-dihydro-9-methoxy-3-(methoxymethoxy)-6H-benzofuro[3,2-c][1]benzopyran-8-yl]methyl]-2,3-dihydro-6-methoxy-5-(methoxymethoxy)-3-phenyl- [ACD/Index Name]
6-Methoxy-5-(methoxymethoxy)-2-{[(6aS,11aS)-9-methoxy-3-(methoxymethoxy)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-yl]methyl}-3-phenyl-2,3-dihydro-1-benzofuran-3-ol [ACD/IUPAC Name]
6-Methoxy-5-(methoxymethoxy)-2-{[(6aS,11aS)-9-methoxy-3-(methoxymethoxy)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-yl]methyl}-3-phenyl-2,3-dihydro-1-benzofuran-3-ol [German] [ACD/IUPAC Name]
6-Méthoxy-5-(méthoxyméthoxy)-2-{[(6aS,11aS)-9-méthoxy-3-(méthoxyméthoxy)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromén-8-yl]méthyl}-3-phényl-2,3-dihydro-1-benzofuran-3-ol [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 737.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.0±3.0 kJ/mol
Flash Point: 400.0±32.9 °C
Index of Refraction: 1.614
Molar Refractivity: 168.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 569.69
ACD/KOC (pH 5.5): 3266.55
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 569.68
ACD/KOC (pH 7.4): 3266.47
Polar Surface Area: 103 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 482.2±3.0 cm3

Click to predict properties on the Chemicalize site


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