| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2009 | 14 | Yes |
Popular Name: (2R,3S)-3-phenylisoserine methyl ester (2R,3S)-3-phenylisoserine methyl…
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CAS Number: 131968-74-6
(2r,3s)-3-phenylisoserinemethylester
| 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) | -1.36 | 1.96 | -45.83 | 4 | 4 | 1 | 74 | 196.226 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.36 | 1.63 | -5.91 | 3 | 4 | 0 | 73 | 195.218 | 4 | ↓ |
| Mid Mid (pH 6-8) | -1.36 | 2.46 | -31.58 | 3 | 4 | 0 | 77 | 195.218 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0912504A1; US6057452; WO1997042167A1 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
