A1JCV
Summary
| Name: | [(2~{R},3~{R},4~{R},5~{S})-3,4,5-tris(oxidanyl)piperidin-2-yl]methyl dihydrogen phosphate |
| Formula: | C6 H14 N O7 P |
| Formal charge: | 0 |
| Formula weight: | 243.152 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{R},3~{R},4~{R},5~{S})-3,4,5-tris(oxidanyl)piperidin-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H14NO7P/c8-4-1-7-3(5(9)6(4)10)2-14-15(11,12)13/h3-10H,1-2H2,(H2,11,12,13)/t3-,4+,5-,6-/m1/s1 |
| InChIKey | InChI | 1.06 | GDNPQORLESVKIU-JGWLITMVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1CN[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | O[CH]1CN[CH](CO[P](O)(O)=O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@@H]([C@H]([C@@H]([C@H](N1)COP(=O)(O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(C(C(C(N1)COP(=O)(O)O)O)O)O |
