ChemSpider 2D Image | 4,10-Dihydroxy-3,9-dimethoxy-2,8-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-6H,12H-dibenzo[b,f][1,5]dioxocine-6,12-dione | C28H32O18

4,10-Dihydroxy-3,9-dimethoxy-2,8-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-6H,12H-dibenzo[b,f][1,5]dioxocine-6,12-dione

  • Molecular FormulaC28H32O18
  • Average mass656.543 Da
  • Monoisotopic mass656.158875 Da
  • ChemSpider ID23283127

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4,10-Dihydroxy-3,9-dimethoxy-2,8-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-6H,12H-dibenzo[b,f][1,5]dioxocin-6,12-dion [German] [ACD/IUPAC Name]
4,10-Dihydroxy-3,9-dimethoxy-2,8-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-6H,12H-dibenzo[b,f][1,5]dioxocine-6,12-dione [ACD/IUPAC Name]
4,10-Dihydroxy-3,9-diméthoxy-2,8-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]-6H,12H-dibenzo[b,f][1,5]dioxocine-6,12-dione [French] [ACD/IUPAC Name]
546114-44-7 [RN]
ardimerin
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL390163/

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1010.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 154.6±3.0 kJ/mol
Flash Point: 329.7±27.8 °C
Index of Refraction: 1.687
Molar Refractivity: 146.7±0.3 cm3
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.53
ACD/LogD (pH 5.5): -1.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.78
ACD/LogD (pH 7.4): -2.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 292 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 93.7±3.0 dyne/cm
Molar Volume: 385.1±3.0 cm3

Click to predict properties on the Chemicalize site


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