5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione | SBID = 1993 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 99.1 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -1.2 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 3.0 | ||
| Number of H-Bond Acceptors: | 6.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 3.0 | ||
| 3D Volume/Å3: | 170.6 | ||
| Sum Formula: | C9H11FN2O5 | ||
| M / g/mol: | 246.19 | ||
| Complexity: | 386.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: 5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
- Preferred Abbreviation: floxuridine
- IUPAC Name: 5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
- CAS: 50-91-9
- CID: 5790
- InChiKey: ODKNJVUHOIMIIZ-RRKCRQDMSA-N
- InChi: InChI=1S/C9H11FN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1
- CanoSmiles: C1C(C(OC1N2C=C(C(=O)NC2=O)F)CO)O
- IsoSmiles: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)CO)O
