Compound PA1
Identifiers
- Canonical SMILES:
N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
- IUPAC name:
2-amino-2-deoxy-alpha-D-glucopyranose
- InChi:
InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6+/m1/s1
- InChiKey:
MSWZFWKMSRAUBD-UKFBFLRUSA-N
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
445621
CHEMBL606759
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 1pbr | Sept. 12, 1996 | Fourmy Dominique, Recht Michael I., Blanchard Scott C., Puglisi Joseph D.. . Structure of the A Site of Escherichia coli 16 S Ribosomal RNA Complexed with an Aminoglycoside Antibiotic Science |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 179.08 g/mol | |||
| HBA | 6 | |||
| HBD | 5 | |||
| HBA + HBD | ||||
| AlogP | -3.26 | |||
| TPSA | 116.17 | |||
| RB | 1 |