FDQ
Summary
| Name: | 2,5-anhydro-1-deoxy-1-phosphono-6-O-phosphono-D-glucitol |
| Synonyms: | D-GLUCO-2,5-ANHYDRO-1-DEOXY-1-PHOSPHONOHEXITOL-6-PHOSPHATE |
| Formula: | C6 H14 O10 P2 |
| Formal charge: | 0 |
| Formula weight: | 308.117 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2,5-anhydro-1-deoxy-1-phosphono-6-O-phosphono-D-glucitol |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methylphosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(OCC1OC(C(O)C1O)CP(=O)(O)O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@H]1[C@H](O)[C@H](C[P](O)(O)=O)O[C@@H]1CO[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | O[CH]1[CH](O)[CH](C[P](O)(O)=O)O[CH]1CO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H]1[C@H]([C@@H]([C@@H](O1)CP(=O)(O)O)O)O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C1C(C(C(O1)CP(=O)(O)O)O)O)OP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H14O10P2/c7-5-3(1-15-18(12,13)14)16-4(6(5)8)2-17(9,10)11/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4+,5-,6-/m1/s1 |
| InChIKey | InChI | 1.03 | YBOWGOLYQKBCFB-JGWLITMVSA-N |
