F1X
Summary
| Name: | 1-O-phosphono-beta-D-fructofuranose |
| Synonyms: | beta D-Fructose 1-phosphate 1-O-phosphono-beta-D-fructose; 1-O-phosphono-D-fructose; 1-O-phosphono-fructose |
| Formula: | C6 H13 O9 P |
| Formal charge: | 0 |
| Formula weight: | 260.136 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-O-phosphono-beta-D-fructofuranose |
| OpenEye OEToolkits | 1.7.0 | [(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(OCC1(O)OC(C(O)C1O)CO)(O)O |
| SMILES_CANONICAL | CACTVS | 3.370 | OC[C@H]1O[C@](O)(CO[P](O)(O)=O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.370 | OC[CH]1O[C](O)(CO[P](O)(O)=O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H13O9P/c7-1-3-4(8)5(9)6(10,15-3)2-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1 |
| InChIKey | InChI | 1.03 | RHKKZBWRNHGJEZ-ARQDHWQXSA-N |
