KDB
Summary
| Name: | 3,4,5-trideoxy-alpha-D-erythro-oct-3-en-2-ulopyranosonic acid |
| Synonyms: | 3,4-dehydro-3,4,5-trideoxy-alpha-D-manno-oct-2-ulosonic acid 3,4,5-trideoxy-alpha-D-erythro-oct-3-en-2-ulosonic acid; 3,4,5-trideoxy-D-erythro-oct-3-en-2-ulosonic acid; 3,4,5-trideoxy-erythro-oct-3-en-2-ulosonic acid |
| Formula: | C8 H12 O6 |
| Formal charge: | 0 |
| Formula weight: | 204.177 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3,4,5-trideoxy-alpha-D-erythro-oct-3-en-2-ulopyranosonic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{S},6~{R})-2-[(1~{R})-1,2-bis(oxidanyl)ethyl]-6-oxidanyl-2,3-dihydropyran-6-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC1(C(=O)O)C=CCC(C(CO)O)O1 |
| InChI | InChI | 1.03 | InChI=1S/C8H12O6/c9-4-5(10)6-2-1-3-8(13,14-6)7(11)12/h1,3,5-6,9-10,13H,2,4H2,(H,11,12)/t5-,6+,8-/m1/s1 |
| InChIKey | InChI | 1.03 | ITFIFEKDEVIBCW-GKROBHDKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H](O)[C@@H]1CC=C[C@@](O)(O1)C(O)=O |
| SMILES | CACTVS | 3.385 | OC[CH](O)[CH]1CC=C[C](O)(O1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1C=C[C@@](O[C@@H]1[C@@H](CO)O)(C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C=CC(OC1C(CO)O)(C(=O)O)O |
