TOB
Summary
| Name: | 1,3-DIAMINO-5,6-DIHYDROXYCYCLOHEXANE |
| Formula: | C6 H16 N2 O2 |
| Formal charge: | 2 |
| Formula weight: | 148.203 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1S,3R,4S,5S)-4,5-dihydroxycyclohexane-1,3-diaminium |
| OpenEye OEToolkits | 1.5.0 | [(1R,2S,3S,5S)-5-azaniumyl-2,3-dihydroxy-cyclohexyl]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC1CC([NH3+])CC([NH3+])C1O |
| SMILES_CANONICAL | CACTVS | 3.341 | [NH3+][C@H]1C[C@@H]([NH3+])[C@H](O)[C@@H](O)C1 |
| SMILES | CACTVS | 3.341 | [NH3+][CH]1C[CH]([NH3+])[CH](O)[CH](O)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@@H](C[C@@H]([C@H]([C@@H]1[NH3+])O)O)[NH3+] |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(CC(C(C1[NH3+])O)O)[NH3+] |
| InChI | InChI | 1.03 | InChI=1S/C6H14N2O2/c7-3-1-4(8)6(10)5(9)2-3/h3-6,9-10H,1-2,7-8H2/p+2/t3-,4+,5-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | QOLDZWBHLDQIJR-FSIIMWSLSA-P |
