RVW
(2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol
Created: | 2020-10-25 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 24 |
Chiral Atom Count | 5 |
Bond Count | 24 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol |
Synonyms | thioglucose |
Systematic Name (OpenEye OEToolkits) | (2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol |
Formula | C6 H12 O5 S |
Molecular Weight | 196.221 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | OC[CH]1O[CH](S)[CH](O)[CH](O)[CH]1O |
SMILES | OpenEye OEToolkits | 2.0.7 | C(C1C(C(C(C(O1)S)O)O)O)O |
Canonical SMILES | CACTVS | 3.385 | OC[C@@H]1O[C@@H](S)[C@@H](O)[C@H](O)[C@H]1O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | C([C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)S)O)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3-,4+,5-,6-/m0/s1 |
InChIKey | InChI | 1.03 | JUSMHIGDXPKSID-QYESYBIKSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 29987437 |