09X
Summary
| Name: | 2-bromanyl-N-[(2R,3R,4R,5S}-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanamide |
| Formula: | C7 H12 Br N O5 |
| Formal charge: | 0 |
| Formula weight: | 270.078 Da |
| Component type: | L-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-bromanyl-~{N}-[(2~{R},3~{R},4~{R},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H12BrNO5/c8-1-4(11)9-7-6(13)5(12)3(2-10)14-7/h3,5-7,10,12-13H,1-2H2,(H,9,11)/t3-,5-,6+,7+/m0/s1 |
| InChIKey | InChI | 1.03 | VXNDJHIRTVJHQB-DOAVWBMOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H]1O[C@@H](NC(=O)CBr)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH](NC(=O)CBr)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C([C@H]1[C@@H]([C@H]([C@@H](O1)NC(=O)CBr)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C1C(C(C(O1)NC(=O)CBr)O)O)O |
