VPH
Summary
| Name: | methyl (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-sulfanyl-oxane-2-carboxylate |
| Formula: | C8 H14 O6 S |
| Formal charge: | 0 |
| Formula weight: | 238.258 Da |
| Component type: | saccharide |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl (2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-sulfanyl-oxane-2-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H14O6S/c1-13-8(12)6-7(15)5(11)4(10)3(2-9)14-6/h3-7,9-11,15H,2H2,1H3/t3-,4+,5+,6-,7?/m1/s1 |
| InChIKey | InChI | 1.06 | UYGITGUNLYPQLW-TVPFVARWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1S |
| SMILES | CACTVS | 3.385 | COC(=O)[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1S |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)S |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)C1C(C(C(C(O1)CO)O)O)S |
