V75
Summary
| Name: | (2~{S},3~{S},4~{S},5~{S})-4,5-diacetyloxy-3-oxidanyl-oxane-2-carboxylic acid |
| Formula: | C10 H14 O8 |
| Formal charge: | 0 |
| Formula weight: | 262.213 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{S},4~{S},5~{S})-4,5-diacetyloxy-3-oxidanyl-oxane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H14O8/c1-4(11)17-6-3-16-9(10(14)15)7(13)8(6)18-5(2)12/h6-9,13H,3H2,1-2H3,(H,14,15)/t6-,7-,8+,9-/m0/s1 |
| InChIKey | InChI | 1.03 | PUWANSDFPUWGOX-MAUMQABQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)O[C@H]1CO[C@@H]([C@@H](O)[C@@H]1OC(C)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)O[CH]1CO[CH]([CH](O)[CH]1OC(C)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)O[C@H]1CO[C@@H]([C@H]([C@@H]1OC(=O)C)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)OC1COC(C(C1OC(=O)C)O)C(=O)O |
