Compound Selection

Formula: C12H18O7

MW: 274.27

MDL: MFCD02066181

TNP: TNP00229

LogP: 11.87

LogS: -8.31

Acceptors: 7

Donors: 1

Rotation Bonds: 5

Chiral Centers: 6

N+O: 7

LIPINSKY: 3

IUPAC: 3,4,5-trimethoxy-9-oxo-8-oxabicyclo[4.3.0]nonane-7-carboxylic acid

Smiles: O1C(C2C(C1=O)CC(C(C2OC)OC)OC)C(=O)O

 

Chemical Compounds - Natural Compounds

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MyriaScreen II – diversity screening library from Sigma-Aldrich and TimTec
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