CKP
Summary
| Name: | 6-O-phosphono-beta-D-psicofuranosonic acid |
| Synonyms: | (2R,3R,4S,5R)-2,3,4-TRIHYDROXY-5-[(PHOSPHONATOOXY)METHYL]TETRAHYDROFURAN-2-CARBOXYLIC ACID 2-KETO-6-PHOSPHATE-D-GLUCONIC ACID, ALPHA-FURANOSE FORM; 6-O-phosphono-beta-D-psicosonic acid; 6-O-phosphono-D-psicosonic acid; 6-O-phosphono-psicosonic acid |
| Formula: | C6 H11 O10 P |
| Formal charge: | 0 |
| Formula weight: | 274.119 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 6-O-phosphono-beta-D-psicofuranosonic acid |
| OpenEye OEToolkits | 1.5.0 | (2R,3R,4S,5R)-2,3,4-trihydroxy-5-(phosphonooxymethyl)oxolane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H11O10P/c7-3-2(1-15-17(12,13)14)16-6(11,4(3)8)5(9)10/h2-4,7-8,11H,1H2,(H,9,10)(H2,12,13,14)/t2-,3-,4-,6-/m1/s1 |
| InChIKey | InChI | 1.03 | LXQWHMQOSMCJIZ-ZGEUXELVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1[C@@H](O)[C@@](O)(O[C@@H]1CO[P](O)(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | O[CH]1[CH](O)[C](O)(O[CH]1CO[P](O)(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C([C@@H]1[C@H]([C@H]([C@@](O1)(C(=O)O)O)O)O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(C1C(C(C(O1)(C(=O)O)O)O)O)OP(=O)(O)O |
