OIW

(2~{S},3~{S},4~{R})-cyclohex-5-ene-1,2,3,4-tetrol

Created: 2022-09-08
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count20
Chiral Atom Count4
Bond Count20
Aromatic Bond Count0
2D diagram of OIW

Chemical Component Summary

Name(2~{S},3~{S},4~{R})-cyclohex-5-ene-1,2,3,4-tetrol
SynonymsD-carbaxylosyl chloride
Systematic Name (OpenEye OEToolkits)(1~{S},2~{S},3~{S},4~{R})-cyclohex-5-ene-1,2,3,4-tetrol
FormulaC6 H10 O4
Molecular Weight146.141
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385O[CH]1C=C[CH](O)[CH](O)[CH]1O
SMILESOpenEye OEToolkits2.0.7C1=CC(C(C(C1O)O)O)O
Canonical SMILESCACTVS3.385 O[C@@H]1C=C[C@H](O)[C@H](O)[C@H]1O
Canonical SMILESOpenEye OEToolkits2.0.7 C1=C[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O
InChIInChI1.06 InChI=1S/C6H10O4/c7-3-1-2-4(8)6(10)5(3)9/h1-10H/t3-,4+,5-,6-/m0/s1
InChIKeyInChI1.06 LRUBQXAKGXQBHA-FSIIMWSLSA-N

Related Resource References

Resource NameReference
PubChem 11029971
ChEMBL CHEMBL1950779