MJS
Summary
| Name: | (5R)-5-amino-5-[hydroxy(methoxy)boranyl]pentan-1-aminium |
| Formula: | C6 H18 B N2 O2 |
| Formal charge: | 1 |
| Formula weight: | 161.03 Da |
| Component type: | PEPTIDE-LIKE |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5R)-5-amino-5-[hydroxy(methoxy)boranyl]pentan-1-aminium |
| OpenEye OEToolkits | 1.7.0 | [(5R)-5-azanyl-5-[hydroxy(methoxy)boranyl]pentyl]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OB(OC)C(N)CCCC[NH3+] |
| SMILES_CANONICAL | CACTVS | 3.370 | COB(O)[C@@H](N)CCCC[NH3+] |
| SMILES | CACTVS | 3.370 | COB(O)[CH](N)CCCC[NH3+] |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | B([C@H](CCCC[NH3+])N)(O)OC |
| SMILES | OpenEye OEToolkits | 1.7.0 | B(C(CCCC[NH3+])N)(O)OC |
| InChI | InChI | 1.03 | InChI=1S/C6H17BN2O2/c1-11-7(10)6(9)4-2-3-5-8/h6,10H,2-5,8-9H2,1H3/p+1/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | POFYNIGXYSRKTM-LURJTMIESA-O |
