VKH
Summary
| Name: | (1~{R},2~{R},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol |
| Formula: | C7 H16 N O4 |
| Formal charge: | 1 |
| Formula weight: | 178.206 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(1~{S},2~{R},3~{R},4~{R},5~{R})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclohexyl]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H15NO4/c8-4-1-5(10)7(12)6(11)3(4)2-9/h3-7,9-12H,1-2,8H2/p+1/t3-,4-,5+,6+,7+/m0/s1 |
| InChIKey | InChI | 1.03 | FGLYJEXIORSHSO-PAMBMQIZSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | [NH3+][C@H]1C[C@@H](O)[C@@H](O)[C@H](O)[C@H]1CO |
| SMILES | CACTVS | 3.385 | [NH3+][CH]1C[CH](O)[CH](O)[CH](O)[CH]1CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@@H]([C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)[NH3+] |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(C(C(C(C1O)O)O)CO)[NH3+] |
