ISD
Summary
| Name: | ISOASCORBIC ACID |
| Synonyms: | (5R)-5-[(1R)-1,2-DIHYDROXYETHYL]-3,4-DIHYDROXYFURAN-2(5H)-ONE |
| Formula: | C6 H8 O6 |
| Formal charge: | 0 |
| Formula weight: | 176.124 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one (non-preferred name) |
| OpenEye OEToolkits | 1.5.0 | (5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-5H-furan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1OC(C(O)=C1O)C(O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@@H](O)[C@H]1OC(=O)C(=C1O)O |
| SMILES | CACTVS | 3.341 | OC[CH](O)[CH]1OC(=O)C(=C1O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C1C(=C(C(=O)O1)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5-/m1/s1 |
| InChIKey | InChI | 1.03 | CIWBSHSKHKDKBQ-DUZGATOHSA-N |
