| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2009 | 27 | No |
Popular Name: (2R,3R,4S,5R)-6-Oxohexane-1,2,3,4,5-pentayl pentaacetate (2R,3R,4S,5R)-6-Oxohexane-1,2,3,…
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CAS Numbers: 3891-59-6 , [3891-59-6]
| 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) | 0.44 | 9.8 | -20.12 | 0 | 11 | 0 | 149 | 390.341 | 15 | ↓ |
| Mid Mid (pH 6-8) | 0.48 | 9.76 | -54.14 | 0 | 11 | -1 | 155 | 389.333 | 14 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 3.392 | Bitter DB |
| Purity | 95% | Fluorochem |
