5FN
Summary
| Name: | (3AS,5S,6S,7R,7AR)-5-FLUORO-5-(HYDROXYMETHYL)-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]OXAZOLE-6,7-DIOL |
| Formula: | C8 H12 F N O5 |
| Formal charge: | 0 |
| Formula weight: | 221.183 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3aS,5S,6S,7R,7aR)-5-fluoro-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazole-6,7-diol |
| OpenEye OEToolkits | 1.6.1 | (3aS,5S,6S,7R,7aR)-5-fluoro-5-(hydroxymethyl)-2-methyl-3a,6,7,7a-tetrahydropyrano[5,6-d][1,3]oxazole-6,7-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | FC1(OC2OC(=NC2C(O)C1O)C)CO |
| SMILES_CANONICAL | CACTVS | 3.352 | CC1=N[C@@H]2[C@@H](O)[C@H](O)[C@@](F)(CO)O[C@@H]2O1 |
| SMILES | CACTVS | 3.352 | CC1=N[CH]2[CH](O)[CH](O)[C](F)(CO)O[CH]2O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC1=N[C@@H]2[C@H]([C@@H]([C@](O[C@@H]2O1)(CO)F)O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC1=NC2C(C(C(OC2O1)(CO)F)O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H12FNO5/c1-3-10-4-5(12)6(13)8(9,2-11)15-7(4)14-3/h4-7,11-13H,2H2,1H3/t4-,5-,6+,7+,8-/m1/s1 |
| InChIKey | InChI | 1.03 | GCSIDVFZDNBNLE-QQGCVABSSA-N |
