D8A
Summary
| Name: | (1R,2S,3R,4R)-3-amino-4-cyclohexylcyclopentane-1,2-diol |
| Formula: | C11 H21 N O2 |
| Formal charge: | 0 |
| Formula weight: | 199.29 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R,2S,3R,4R)-3-amino-4-cyclohexylcyclopentane-1,2-diol |
| OpenEye OEToolkits | 2.0.6 | (1~{R},2~{S},3~{R},4~{R})-3-azanyl-4-cyclohexyl-cyclopentane-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C2C(C1C(C(C(C1)O)O)N)CCCC2 |
| InChI | InChI | 1.03 | InChI=1S/C11H21NO2/c12-10-8(6-9(13)11(10)14)7-4-2-1-3-5-7/h7-11,13-14H,1-6,12H2/t8-,9-,10-,11-/m1/s1 |
| InChIKey | InChI | 1.03 | CZPCDIVNIKVJDW-GWOFURMSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1[C@H](O)[C@H](O)C[C@@H]1C2CCCCC2 |
| SMILES | CACTVS | 3.385 | N[CH]1[CH](O)[CH](O)C[CH]1C2CCCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1CCC(CC1)[C@H]2C[C@H]([C@H]([C@@H]2N)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1CCC(CC1)C2CC(C(C2N)O)O |
