Compound U3H
Identifiers
- Canonical SMILES:
O[C@@H]1C[C@@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)O[C@H]1N2C=CC(=O)N[C@H]2O
- IUPAC name:
(2R)-1-{3-deoxy-5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-2-hydroxy-2,3-dihydropyrimidin-4(1H)-one - InChi:
InChI=1S/C9H17N2O14P3/c12-6-3-5(23-8(6)11-2-1-7(13)10-9(11)14)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8-9,12,14H,3-4H2,(H,10,13)(H,18,19)(H,20,21)(H2,15,16,17)/t5-,6+,8+,9+/m0/s1
- InChiKey:
CVEDUOUYNXHQBA-HIORRCEOSA-N
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
49867782
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 1n38 | Oct. 25, 2002 | Tao Yizhi, Farsetta Diane L., Nibert Max L., Harrison Stephen C.. . RNA Synthesis in a Cage—Structural Studies of Reovirus Polymerase λ3 Cell |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 469.99 g/mol | |||
| HBA | 11 | |||
| HBD | 7 | |||
| HBA + HBD | ||||
| AlogP | -1.97 | |||
| TPSA | 241.85 | |||
| RB | 8 |