JIW
Summary
| Name: | beta-D-manno-configured cyclophellitol aziridine, reacted form |
| Synonyms: | (1~{R},2~{S},3~{R},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol |
| Formula: | C7 H15 N O5 |
| Formal charge: | 0 |
| Formula weight: | 193.198 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{R},2~{S},3~{R},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H15NO5/c8-3-2(1-9)4(10)6(12)7(13)5(3)11/h2-7,9-13H,1,8H2/t2-,3+,4+,5-,6-,7+/m0/s1 |
| InChIKey | InChI | 1.06 | SWVTZDDSAFUTKS-DOMFMGKQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1CO |
| SMILES | CACTVS | 3.385 | N[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)N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C1C(C(C(C(C1O)O)O)O)N)O |
