Compound U5P
Identifiers
- Canonical SMILES:
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O
- IUPAC name:
5'-uridylic acid
- InChi:
InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
- InChiKey:
DJJCXFVJDGTHFX-XVFCMESISA-N
- SMARTS:
[#8]-[#6@H]1-[#6@@H](-[#8])-[#6@@H](-[#8]-[#6@@H]-1-[#6]-[#8]-[#15](-[#8])(-[#8])=[#8])-[#7]1:[#6]:[#6]:[#6](=[#8]):[#7]:[#6]:1=[#8]
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
6030
CHEMBL214393
U5P
DB03685
RNA-SM complexes
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 324.04 g/mol | |||
| HBA | 7 | |||
| HBD | 5 | |||
| HBA + HBD | ||||
| AlogP | -2.74 | |||
| TPSA | 171.31 | |||
| RB | 4 |