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Molecule
Clevudine
CAS: 163252-36-6 · C10H13FN2O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 163252-36-6
- Molecular Formula
- C10H13FN2O5
- Molecular Mass
- 260.22 g/mol
Identifiers
CAS Registry Number
163252-36-6
SMILES
Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)c(=O)nc1O
InChI Key
GBBJCSTXCAQSSJ-XQXXSGGOSA-N
InChI
InChI=1S/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6+,7-,9-/m0/s1
Names and Synonyms
- Clevudine Synonym
- 2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-2-fluoro-β-L-arabinofuranosyl)-5-methyl- Synonym
- 1-(2-Deoxy-2-fluoro-β-L-arabinofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione Synonym
- L-FMAU Synonym
- Clevudine Synonym
- 1-(2′-Deoxy-2′-fluoro-β-L-arabinofuranosyl)-5-methyluracil Synonym
- Levovir Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 260.22 g/mol | CAS Common Chemistry |
| 260.22099999999995 g/mol | RDKit | |
| 260.221 g/mol | RDKit | |
| Canonical SMILES | O=C1NC(=O)N(C=C1C)C2OC(CO)C(O)C2F | CAS Common Chemistry |
| InChI | InChI=1S/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6+,7-,9-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=GBBJCSTXCAQSSJ-XQXXSGGOSA-N | CAS Common Chemistry |
| Name | Clevudine | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| 6 | RDKit | |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 104.81 Ų | RDKit |
| 111.35 Ų | chempirical lib | |
| LogP | -1.1539799999999998 | RDKit |
| -1.154 | RDKit | |
| Molar Refractivity | 56.79740000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 260.080849736 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 260.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H13FN2O5.
