GH7
Summary
| Name: | (3S,3aR,6aS)-hexahydrofuro[3,2-d][1,2]oxazole-3-carboxylic acid |
| Formula: | C6 H9 N O4 |
| Formal charge: | 0 |
| Formula weight: | 159.14 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S,3aR,6aS)-hexahydrofuro[3,2-d][1,2]oxazole-3-carboxylic acid |
| OpenEye OEToolkits | 2.0.6 | (3~{S},3~{a}~{R},6~{a}~{S})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[3,2-d][1,2]oxazole-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1C(C2C(O1)OCC2)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C6H9NO4/c8-5(9)4-3-1-2-10-6(3)11-7-4/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+,6+/m1/s1 |
| InChIKey | InChI | 1.03 | AHDAIGARUALBIP-IWGUZYHVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H]1NO[C@@H]2OCC[C@H]12 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1NO[CH]2OCC[CH]12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1CO[C@@H]2[C@H]1[C@H](NO2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1COC2C1C(NO2)C(=O)O |
