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

Formal Charge0
Atom Count24
Chiral Atom Count5
Bond Count24
Aromatic Bond Count0
2D diagram of RVW

Chemical Component Summary

Name(2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol
Synonymsthioglucose
Systematic Name (OpenEye OEToolkits)(2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol
FormulaC6 H12 O5 S
Molecular Weight196.221
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385OC[CH]1O[CH](S)[CH](O)[CH](O)[CH]1O
SMILESOpenEye OEToolkits2.0.7C(C1C(C(C(C(O1)S)O)O)O)O
Canonical SMILESCACTVS3.385 OC[C@@H]1O[C@@H](S)[C@@H](O)[C@H](O)[C@H]1O
Canonical SMILESOpenEye OEToolkits2.0.7 C([C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)S)O)O)O)O
InChIInChI1.03 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
InChIKeyInChI1.03 JUSMHIGDXPKSID-QYESYBIKSA-N

Related Resource References

Resource NameReference
PubChem 29987437