VPQ
Summary
| Name: | (2S,3S,4S,5S,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-sulfanyl-oxane-2-carboxamide |
| Formula: | C7 H13 N O5 S |
| Formal charge: | 0 |
| Formula weight: | 223.247 Da |
| Component type: | saccharide |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-sulfanyl-oxane-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H13NO5S/c8-7(12)5-6(14)4(11)3(10)2(1-9)13-5/h2-6,9-11,14H,1H2,(H2,8,12)/t2-,3-,4+,5-,6+/m1/s1 |
| InChIKey | InChI | 1.06 | GHPRJGUXPNVFQL-DVKNGEFBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1S |
| SMILES | CACTVS | 3.385 | NC(=O)[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1S |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C(=O)N)S)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C1C(C(C(C(O1)C(=O)N)S)O)O)O |
