Compound 6MN
Identifiers
- Canonical SMILES:
N[C@@H]1[C@@H](O)O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O
- IUPAC name:
2-amino-2-deoxy-6-O-phosphono-alpha-D-mannopyranose
- InChi:
InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3+,4-,5-,6+/m1/s1
- InChiKey:
XHMJOUIAFHJHBW-RXRWUWDJSA-N
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
44246482
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 3g96 | Feb. 12, 2009 | Cochrane Jesse C., Lipchock Sarah V., Smith Kathryn D., Strobel Scott A.. . Structural and Chemical Basis for Glucosamine 6-Phosphate Binding and Activation of the glmS Ribozyme Biochemistry |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 259.05 g/mol | |||
| HBA | 7 | |||
| HBD | 6 | |||
| HBA + HBD | ||||
| AlogP | -3.14 | |||
| TPSA | 162.70 | |||
| RB | 3 |