H2P
Summary
| Name: | 1-deoxy-2-O-phosphono-alpha-D-gluco-hept-2-ulopyranose |
| Synonyms: | HEPTULOSE-2-PHOSPHATE 1-deoxy-2-O-phosphono-alpha-D-gluco-hept-2-ulose; 1-deoxy-2-O-phosphono-D-gluco-hept-2-ulose; 1-deoxy-2-O-phosphono-gluco-hept-2-ulose |
| Formula: | C7 H15 O9 P |
| Formal charge: | 0 |
| Formula weight: | 274.162 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-deoxy-2-O-phosphono-alpha-D-gluco-hept-2-ulopyranose |
| OpenEye OEToolkits | 1.5.0 | [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methyl-oxan-2-yl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(OC1(OC(C(O)C(O)C1O)CO)C)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | C[C]1(O[CH](CO)[CH](O)[CH](O)[CH]1O)O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1(C(C(C(C(O1)CO)O)O)O)OP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H15O9P/c1-7(16-17(12,13)14)6(11)5(10)4(9)3(2-8)15-7/h3-6,8-11H,2H2,1H3,(H2,12,13,14)/t3-,4-,5+,6-,7-/m1/s1 |
| InChIKey | InChI | 1.03 | QZBAZODTRUGOQS-XUUWZHRGSA-N |
