| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2008 | 14 | No |
Popular Name: (3S,4R,5S)-Methyl 3,4,5,6-tetrahydroxy-2-oxohexanoate (3S,4R,5S)-Methyl 3,4,5,6-tetrah…
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CAS Numbers: 16048-08-1 , 3031-98-9
(2S,3R,4S,5R)-Methyl 2,3,4,5-tetrahydroxy-6-oxohexanoate
| 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) | -2.15 | -5.45 | -13.75 | 4 | 7 | 0 | 124 | 208.166 | 6 | ↓ |
| Ref Reference (pH 7) | -3.00 | -4.62 | -9.96 | 4 | 7 | 0 | 124 | 208.166 | 6 | ↓ |
| Ref Reference (pH 7) | -3.00 | -5.29 | -9.23 | 4 | 7 | 0 | 124 | 208.166 | 6 | ↓ |
| Hi High (pH 8-9.5) | -3.00 | -5.86 | -59.06 | 3 | 7 | -1 | 127 | 207.158 | 6 | ↓ |
| Hi High (pH 8-9.5) | -3.00 | -4.45 | -57.78 | 3 | 7 | -1 | 127 | 207.158 | 6 | ↓ |
| Hi High (pH 8-9.5) | -3.00 | -4.23 | -45.31 | 3 | 7 | -1 | 127 | 207.158 | 6 | ↓ |
| Hi High (pH 8-9.5) | -3.00 | -4.57 | -48.3 | 3 | 7 | -1 | 127 | 207.158 | 6 | ↓ |
| Mid Mid (pH 6-8) | -3.00 | -4.12 | -43.43 | 3 | 7 | -1 | 127 | 207.158 | 6 | ↓ |
