LX5
Summary
| Name: | [(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl] hydrogen sulfate |
| Formula: | C6 H12 O7 S |
| Formal charge: | 0 |
| Formula weight: | 228.22 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl] hydrogen sulfate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H12O7S/c7-2-3-5(13-14(10,11)12)1-4(8)6(3)9/h3-9H,1-2H2,(H,10,11,12)/t3-,4+,5+,6+/m1/s1 |
| InChIKey | InChI | 1.03 | WLWVVBPJYHXDMI-VANKVMQKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1[C@H](O)[C@@H](O)C[C@@H]1O[S](O)(=O)=O |
| SMILES | CACTVS | 3.385 | OC[CH]1[CH](O)[CH](O)C[CH]1O[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@@H]([C@H]([C@@H]([C@H]1OS(=O)(=O)O)CO)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(C(C(C1OS(=O)(=O)O)CO)O)O |
