QIF
Summary
| Name: | 1-deoxy-7-O-phosphono-alpha-D-gluco-hept-2-ulopyranose |
| Synonyms: | 1-deoxy-7-O-phosphono-alpha-D-gluco-hept-2-ulose 1-deoxy-7-O-phosphono-D-gluco-hept-2-ulose; 1-deoxy-7-O-phosphono-gluco-hept-2-ulose |
| Formula: | C7 H15 O9 P |
| Formal charge: | 0 |
| Formula weight: | 274.162 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-deoxy-7-O-phosphono-alpha-D-gluco-hept-2-ulopyranose |
| OpenEye OEToolkits | 2.0.6 | [(2~{R},3~{S},4~{S},5~{R},6~{S})-6-methyl-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(C(C(O)C(C(COP(=O)(O)O)O1)O)O)(O)C |
| InChI | InChI | 1.03 | InChI=1S/C7H15O9P/c1-7(11)6(10)5(9)4(8)3(16-7)2-15-17(12,13)14/h3-6,8-11H,2H2,1H3,(H2,12,13,14)/t3-,4-,5+,6-,7+/m1/s1 |
| InChIKey | InChI | 1.03 | DFHDZDLZUMUBKN-ZFYZTMLRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@]1(O)O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.385 | C[C]1(O)O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1(C(C(C(C(O1)COP(=O)(O)O)O)O)O)O |
