FHN
Summary
| Name: | (2S,3R,5R,6S)-3,4,5-TRIHYDROXY-2,6-BIS(HYDROXYMETHYL)PIPERIDINIUM |
| Formula: | C7 H16 N O5 |
| Formal charge: | 1 |
| Formula weight: | 194.206 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S,3R,5R,6S)-3,4,5-trihydroxy-2,6-bis(hydroxymethyl)piperidinium |
| OpenEye OEToolkits | 1.6.1 | (2S,3R,5R,6S)-2,6-bis(hydroxymethyl)piperidin-1-ium-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC1C(CO)[NH2+]C(C(O)C1O)CO |
| SMILES_CANONICAL | CACTVS | 3.352 | OC[C@@H]1[NH2+][C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.352 | OC[CH]1[NH2+][CH](CO)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | C([C@H]1[C@H](C([C@@H]([C@@H]([NH2+]1)CO)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | C(C1C(C(C(C([NH2+]1)CO)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1-2H2/p+1/t3-,4-,5+,6+/m0/s1 |
| InChIKey | InChI | 1.03 | CLVUFWXGNIFGNC-UNTFVMJOSA-O |
