M7B
Summary
| Name: | 7-O-phosphono-D-glycero-beta-D-manno-heptopyranose |
| Synonyms: | 7-O-phosphono-D-glycero-beta-D-manno-heptose 7-O-phosphono-D-glycero-D-manno-heptose; 7-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 | 12.01 | 7-O-phosphono-D-glycero-beta-D-manno-heptopyranose |
| OpenEye OEToolkits | 1.7.6 | [(2R)-2-oxidanyl-2-[(2R,3S,4S,5S,6R)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]ethyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC(O)C1OC(O)C(O)C(O)C1O |
| InChI | InChI | 1.03 | InChI=1S/C7H15O10P/c8-2(1-16-18(13,14)15)6-4(10)3(9)5(11)7(12)17-6/h2-12H,1H2,(H2,13,14,15)/t2-,3+,4+,5+,6-,7-/m1/s1 |
| InChIKey | InChI | 1.03 | SDADNVAZGVDAIM-ZUHYCWGWSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O[C@H](CO[P](O)(O)=O)[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.370 | O[CH](CO[P](O)(O)=O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C(C1C(C(C(C(O1)O)O)O)O)O)OP(=O)(O)O |
