HF8
Summary
Name: | [(1~{S},2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate |
Formula: | C7 H14 O9 S |
Formal charge: | 0 |
Formula weight: | 274.246 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | [(1~{S},2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C7H14O9S/c8-1-2-3(9)4(10)5(11)6(12)7(2)16-17(13,14)15/h2-12H,1H2,(H,13,14,15)/t2-,3+,4+,5-,6+,7+/m1/s1 |
InChIKey | InChI | 1.03 | PDBNIRCVRHFXAD-ADTCQYHUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O[S](O)(=O)=O |
SMILES | CACTVS | 3.385 | OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O[S](O)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1OS(=O)(=O)O)O)O)O)O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | C(C1C(C(C(C(C1OS(=O)(=O)O)O)O)O)O)O |