UI5
Summary
| Name: | (1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol |
| Formula: | C6 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 147.172 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H13NO3/c7-4-1-5(9)6(10)3(4)2-8/h3-6,8-10H,1-2,7H2/t3-,4-,5+,6+/m1/s1 |
| InChIKey | InChI | 1.06 | XJKPQBOZNVQXOP-ZXXMMSQZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1CO |
| SMILES | CACTVS | 3.385 | N[CH]1C[CH](O)[CH](O)[CH]1CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@H]([C@H]([C@@H]([C@H]1O)O)CO)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(C(C(C1O)O)CO)N |
