OI7
Summary
| Name: | 1,7-di-O-phosphono-beta-D-altro-hept-2-ulofuranose |
| Synonyms: | 1,7-di-O-phosphono-beta-D-altro-hept-2-ulose 1,7-di-O-phosphono-D-altro-hept-2-ulose; 1,7-di-O-phosphono-altro-hept-2-ulose |
| Formula: | C7 H16 O13 P2 |
| Formal charge: | 0 |
| Formula weight: | 370.142 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,7-di-O-phosphono-beta-D-altro-hept-2-ulofuranose |
| OpenEye OEToolkits | 1.7.0 | [(2R)-2-hydroxy-2-[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]ethyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC(O)C1OC(O)(COP(=O)(O)O)C(O)C1O |
| SMILES_CANONICAL | CACTVS | 3.370 | O[C@H](CO[P](O)(O)=O)[C@H]1O[C@](O)(CO[P](O)(O)=O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.370 | O[CH](CO[P](O)(O)=O)[CH]1O[C](O)(CO[P](O)(O)=O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C([C@H]([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C(C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)O)OP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H16O13P2/c8-3(1-18-21(12,13)14)5-4(9)6(10)7(11,20-5)2-19-22(15,16)17/h3-6,8-11H,1-2H2,(H2,12,13,14)(H2,15,16,17)/t3-,4-,5-,6+,7-/m1/s1 |
| InChIKey | InChI | 1.03 | YCQNLCZEHKXXNQ-BNWJMWRWSA-N |
