GMZ
Summary
| Name: | 1,7-di-O-phosphono-D-glycero-beta-D-manno-heptopyranose |
| Synonyms: | 1,7-di-O-phosphono-D-glycero-beta-D-manno-heptose 1,7-di-O-phosphono-D-glycero-D-manno-heptose; 1,7-di-O-phosphono-D-glycero-manno-heptose |
| Formula: | C7 H16 O13 P2 |
| Formal charge: | 0 |
| Formula weight: | 370.142 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,7-di-O-phosphono-D-glycero-beta-D-manno-heptopyranose |
| OpenEye OEToolkits | 1.7.6 | [(2R)-2-oxidanyl-2-[(2R,3S,4S,5S,6S)-3,4,5-tris(oxidanyl)-6-phosphonooxy-oxan-2-yl]ethyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC(O)C1OC(OP(=O)(O)O)C(O)C(O)C1O |
| InChI | InChI | 1.03 | InChI=1S/C7H16O13P2/c8-2(1-18-21(12,13)14)6-4(10)3(9)5(11)7(19-6)20-22(15,16)17/h2-11H,1H2,(H2,12,13,14)(H2,15,16,17)/t2-,3+,4+,5+,6-,7+/m1/s1 |
| InChIKey | InChI | 1.03 | LMTGTTLGDUACSJ-QTNLNCNHSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O[C@H](CO[P](O)(O)=O)[C@H]1O[C@@H](O[P](O)(O)=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[P](O)(O)=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)OP(=O)(O)O)O)O)O)O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O)OP(=O)(O)O |
