Compound TOC
Identifiers
- Canonical SMILES:
[NH3+]C[C@H]1O[C@H](O)[C@H]([NH3+])C[C@@H]1O
- IUPAC name:
2,6-diammonio-2,3,6-trideoxy-alpha-D-ribo-hexopyranose
- InChi:
InChI=1S/C6H14N2O3/c7-2-5-4(9)1-3(8)6(10)11-5/h3-6,9-10H,1-2,7-8H2/p+2/t3-,4+,5-,6+/m1/s1
- InChiKey:
CEGXIUROHCNLCL-MOJAZDJTSA-P
- SMARTS:
[#7+]-[#6]-[#6@H]1-[#8]-[#6@H](-[#8])-[#6@H](-[#7+])-[#6]-[#6@@H]-1-[#8]
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
448761
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 1tob | Dec. 12, 1996 | Jiang Licong, Suri Asif K., Fiala Radovan, Patel Dinshaw J.. . Saccharide-RNA recognition in an aminoglycoside antibiotic-RNA aptamer complex Chemistry & Biology |
| 2tob | June 17, 1998 | Jiang Licong, Patel Dinshaw J.. . Solution structure of the tobramycin–RNA aptamer complex Nature Structural Biology |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 164.12 g/mol | |||
| HBA | 3 | |||
| HBD | 4 | |||
| HBA + HBD | ||||
| AlogP | -3.69 | |||
| TPSA | 104.97 | |||
| RB | 1 |