94B
Summary
| Name: | (1~{S},2~{S},3~{S},4~{R},5~{R},6~{S})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol |
| Formula: | C7 H13 N O4 |
| Formal charge: | 0 |
| Formula weight: | 175.182 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (1~{S},2~{S},3~{S},4~{R},5~{R},6~{S})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H13NO4/c9-1-2-3-4(8-3)6(11)7(12)5(2)10/h2-12H,1H2/t2-,3-,4-,5+,6-,7-/m0/s1 |
| InChIKey | InChI | 1.03 | GPIFFOGPRPKRHS-GESKJZQWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H]2N[C@@H]12 |
| SMILES | CACTVS | 3.385 | OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2N[CH]12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C([C@H]1[C@H]2[C@H](N2)[C@@H]([C@H]([C@@H]1O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(C1C2C(N2)C(C(C1O)O)O)O |
