VPL
Summary
| Name: | (2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxamide |
| Formula: | C7 H13 N O5 |
| Formal charge: | 0 |
| Formula weight: | 191.182 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H13NO5/c8-7(12)4-1-3(10)6(11)5(2-9)13-4/h3-6,9-11H,1-2H2,(H2,8,12)/t3-,4-,5-,6-/m1/s1 |
| InChIKey | InChI | 1.06 | XSQZVCXBAGPICS-KVTDHHQDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@H]1C[C@@H](O)[C@@H](O)[C@@H](CO)O1 |
| SMILES | CACTVS | 3.385 | NC(=O)[CH]1C[CH](O)[CH](O)[CH](CO)O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@H]([C@H]([C@H](O[C@H]1C(=O)N)CO)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(C(C(OC1C(=O)N)CO)O)O |
