Summary
| Name: | 4-O-phosphono-D-glycero-beta-D-manno-heptopyranose |
| Synonyms: | 4-O-phosphono-D-glycero-beta-D-manno-heptose 4-O-phosphono-D-glycero-D-manno-heptose; 4-O-phosphono-D-glycero-manno-heptose |
| Formula: | C7 H15 O10 P |
| Formal charge: | 0 |
| Formula weight: | 290.162 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-O-phosphono-D-glycero-beta-D-manno-heptopyranose |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,4R,5S,6R)-2-[(1R)-1,2-dihydroxyethyl]-4,5,6-trihydroxy-oxan-3-yl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OC1C(OC(O)C(O)C1O)C(O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@@H](O)[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | OC[CH](O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)OP(=O)(O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C1C(C(C(C(O1)O)O)O)OP(=O)(O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H15O10P/c8-1-2(9)5-6(17-18(13,14)15)3(10)4(11)7(12)16-5/h2-12H,1H2,(H2,13,14,15)/t2-,3-,4+,5-,6+,7-/m1/s1 |
| InChIKey | InChI | 1.03 | JDFMKMOMBHLESC-XQCVOTFFSA-N |
