L9D
Summary
| Name: | (1S,2R,3S,4S,5S,6R)-2-amino-3,4,5,6-tetrahydroxycyclohexane-1-carboxylic acid |
| Synonyms: | cyclophellitol-aziridine, open form |
| Formula: | C7 H13 N O6 |
| Formal charge: | 0 |
| Formula weight: | 207.181 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S,2R,3S,4S,5S,6R)-2-amino-3,4,5,6-tetrahydroxycyclohexane-1-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | (1~{S},2~{R},4~{S},5~{S},6~{R})-2-azanyl-3,4,5,6-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(C(C(C(C(C1N)C(O)=O)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H13NO6/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h1-6,9-12H,8H2,(H,13,14)/t1-,2+,3+,4-,5-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | POIWYXZEYSYIEW-HOZKJCLWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [C@H]1([C@H]([C@@H]([C@H](C([C@@H]1N)O)O)O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1(C(C(C(C(C1O)O)O)O)N)C(=O)O |
