In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 3rd, 2010 | 14 | No |
Popular Name: (6R,9R,10R,11S)-1,4,7-trioxaspiro[5.5]undecane-9,10,11-triol (6R,9R,10R,11S)-1,4,7-trioxaspir…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | -1.87 | -5.62 | -8.95 | 3 | 6 | 0 | 88 | 206.194 | 0 | ↓ |
Note Type | Comments | Provided By |
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PUBCHEM_PATENT_ID | EP0910383A1; WO1997049408A1 | IBM Patent Data |