OIZ

(1~{S},2~{R},3~{S},6~{S})-6-chloranylcyclohex-4-ene-1,2,3-triol

Created:2022-09-08
Last modified:  2024-03-13

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Chemical Details

Formal Charge0
Atom Count19
Chiral Atom Count4
Bond Count19
Aromatic Bond Count0
2D diagram of OIZ

Chemical Component Summary

Name(1~{S},2~{R},3~{S},6~{S})-6-chloranylcyclohex-4-ene-1,2,3-triol
SynonymsL-carbaxylosyl chloride
Systematic Name (OpenEye OEToolkits)(1~{S},2~{R},3~{S},6~{S})-6-chloranylcyclohex-4-ene-1,2,3-triol
FormulaC6 H9 Cl O3
Molecular Weight164.587
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385O[CH]1C=C[CH](Cl)[CH](O)[CH]1O
SMILESOpenEye OEToolkits2.0.7C1=CC(C(C(C1O)O)O)Cl
Canonical SMILESCACTVS3.385 O[C@H]1C=C[C@H](Cl)[C@@H](O)[C@@H]1O
Canonical SMILESOpenEye OEToolkits2.0.7 C1=C[C@@H]([C@H]([C@@H]([C@H]1O)O)O)Cl
InChIInChI1.06 InChI=1S/C6H9ClO3/c7-3-1-2-4(8)6(10)5(3)9/h1-6,8-10H/t3-,4-,5+,6+/m0/s1
InChIKeyInChI1.06 CGZQOMOYCGJBIC-UNTFVMJOSA-N

Related Resource References

Resource NameReference
PubChem 131027542