U9A
Summary
| Name: | [(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(sulfooxy)tetrahydro-2H-pyran-3-yl]sulfamic acid |
| Formula: | C5 H11 N O11 S2 |
| Formal charge: | 0 |
| Formula weight: | 325.271 Da |
| Component type: | saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(sulfooxy)tetrahydro-2H-pyran-3-yl]sulfamic acid (non-preferred name) |
| OpenEye OEToolkits | 2.0.7 | [(2~{R},3~{R},4~{R},5~{R},6~{R})-2,4,5-tris(oxidanyl)-6-sulfooxy-oxan-3-yl]sulfamic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(C(C(NS(O)(=O)=O)C(OC1OS(O)(=O)=O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H11NO11S2/c7-2-1(6-18(10,11)12)4(9)16-5(3(2)8)17-19(13,14)15/h1-9H,(H,10,11,12)(H,13,14,15)/t1-,2-,3-,4-,5-/m1/s1 |
| InChIKey | InChI | 1.03 | SENPUEYGUGAZCY-WHDMSYDLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1O[C@H](O[S](O)(=O)=O)[C@H](O)[C@H](O)[C@H]1N[S](O)(=O)=O |
| SMILES | CACTVS | 3.385 | O[CH]1O[CH](O[S](O)(=O)=O)[CH](O)[CH](O)[CH]1N[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [C@H]1([C@H]([C@H]([C@H](O[C@H]1O)OS(=O)(=O)O)O)O)NS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1(C(C(C(OC1O)OS(=O)(=O)O)O)O)NS(=O)(=O)O |
