MSN
Summary
| Name: | (1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTANE-1,2,3-TRIOL |
| Formula: | C6 H13 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 179.237 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1R,2R,3R,4S,5R)-4-amino-5-(methylsulfanyl)cyclopentane-1,2,3-triol |
| OpenEye OEToolkits | 1.5.0 | (1R,2R,3R,4S,5R)-4-amino-5-methylsulfanyl-cyclopentane-1,2,3-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC1C(O)C(N)C(SC)C1O |
| SMILES_CANONICAL | CACTVS | 3.341 | CS[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O |
| SMILES | CACTVS | 3.341 | CS[CH]1[CH](N)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CS[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CSC1C(C(C(C1O)O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C6H13NO3S/c1-11-6-2(7)3(8)4(9)5(6)10/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5+,6+/m0/s1 |
| InChIKey | InChI | 1.03 | BLOFGONIVNXZME-YDMGZANHSA-N |
