DO8
Summary
| Name: | 3-deoxy-8-O-phosphono-alpha-D-manno-oct-2-ulopyranosonic acid |
| Synonyms: | 3-DEOXY-D-MANNO-2-OCTULOSONATE-8-PHOSPHATE 3-deoxy-8-O-phosphono-alpha-D-manno-oct-2-ulosonic acid; 3-deoxy-8-O-phosphono-D-manno-oct-2-ulosonic acid; 3-deoxy-8-O-phosphono-manno-oct-2-ulosonic acid |
| Formula: | C8 H15 O11 P |
| Formal charge: | 0 |
| Formula weight: | 318.172 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-deoxy-8-O-phosphono-alpha-D-manno-oct-2-ulopyranosonic acid |
| OpenEye OEToolkits | 1.5.0 | (2R,4R,5R,6R)-2,4,5-trihydroxy-6-[(1R)-1-hydroxy-2-phosphonooxy-ethyl]oxane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC(O)C1OC(O)(C(=O)O)CC(O)C1O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@H](CO[P](O)(O)=O)[C@H]1O[C@](O)(C[C@@H](O)[C@H]1O)C(O)=O |
| SMILES | CACTVS | 3.341 | O[CH](CO[P](O)(O)=O)[CH]1O[C](O)(C[CH](O)[CH]1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](COP(=O)(O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(C(OC1(C(=O)O)O)C(COP(=O)(O)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H15O11P/c9-3-1-8(14,7(12)13)19-6(5(3)11)4(10)2-18-20(15,16)17/h3-6,9-11,14H,1-2H2,(H,12,13)(H2,15,16,17)/t3-,4-,5-,6-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | IZZNRKJLBIYBJN-HXUQBWEZSA-N |
