0NZ
Summary
| Name: | 2-deoxy-6-O-phosphono-beta-D-glucopyranose |
| Synonyms: | 2-deoxy-6-O-phosphono-beta-D-arabino-hexopyranose 2-deoxy-beta-D-glucopyranose 6-phosphate; 2-deoxy-6-O-phosphono-beta-D-glucose; 2-deoxy-6-O-phosphono-D-glucose; 2-deoxy-6-O-phosphono-glucose |
| Formula: | C6 H13 O8 P |
| Formal charge: | 0 |
| Formula weight: | 244.136 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-deoxy-6-O-phosphono-beta-D-arabino-hexopyranose |
| OpenEye OEToolkits | 1.7.6 | [(2R,3S,4R,6R)-3,4,6-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate |
| PDB-CARE | 1.0 | b-D-2-deoxy-Glcp6PO3 |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC1OC(O)CC(O)C1O |
| InChI | InChI | 1.03 | InChI=1S/C6H13O8P/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5-,6+/m1/s1 |
| InChIKey | InChI | 1.03 | UQJFZAAGZAYVKZ-KAZBKCHUSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O[C@H]1C[C@@H](O)[C@H](O)[C@@H](CO[P](O)(O)=O)O1 |
| SMILES | CACTVS | 3.370 | O[CH]1C[CH](O)[CH](O)[CH](CO[P](O)(O)=O)O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1[C@H]([C@@H]([C@H](O[C@H]1O)COP(=O)(O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1C(C(C(OC1O)COP(=O)(O)O)O)O |
