PO8
Summary
| Name: | (1~{R},2~{S},3~{S},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol |
| Formula: | C7 H16 N O5 |
| Formal charge: | 1 |
| Formula weight: | 194.206 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(1~{R},2~{R},3~{R},4~{S},5~{S},6~{S})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H15NO5/c8-3-2(1-9)4(10)6(12)7(13)5(3)11/h2-7,9-13H,1,8H2/p+1/t2-,3+,4+,5-,6-,7-/m0/s1 |
| InChIKey | InChI | 1.03 | SWVTZDDSAFUTKS-ARYBSUEZSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | [NH3+][C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |
| SMILES | CACTVS | 3.385 | [NH3+][CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C([C@H]1[C@H]([C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O)[NH3+])O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C1C(C(C(C(C1O)O)O)O)[NH3+])O |
