GC3
Summary
| Name: | (3AR,5R,6S,7R,7AR)-2,5-BIS(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]OXAZOLE-6,7-DIOL |
| Formula: | C8 H13 N O6 |
| Formal charge: | 0 |
| Formula weight: | 219.192 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3aR,5R,6S,7R,7aR)-2,5-bis(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazole-6,7-diol |
| OpenEye OEToolkits | 1.6.1 | (3aR,5R,6S,7R,7aR)-2,5-bis(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[5,6-d][1,3]oxazole-6,7-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | N1=C(OC2OC(C(O)C(O)C12)CO)CO |
| SMILES_CANONICAL | CACTVS | 3.352 | OC[C@H]1O[C@@H]2OC(=N[C@@H]2[C@@H](O)[C@@H]1O)CO |
| SMILES | CACTVS | 3.352 | OC[CH]1O[CH]2OC(=N[CH]2[CH](O)[CH]1O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | C([C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)OC(=N2)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | C(C1C(C(C2C(O1)OC(=N2)CO)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H13NO6/c10-1-3-6(12)7(13)5-8(14-3)15-4(2-11)9-5/h3,5-8,10-13H,1-2H2/t3-,5-,6-,7-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | FAUNLXBEFZYFSG-PNAXYBNRSA-N |
