OUU

(1~{S},2~{R},3~{R},4~{S},6~{S})-2-(2-acetamidoethoxy)-3,4,6-tris(oxidanyl)cyclohexane-1-carboxylic acid

Created:2022-09-21
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count5
Bond Count38
Aromatic Bond Count0
2D diagram of OUU

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Chemical Component Summary

Name(1~{S},2~{R},3~{R},4~{S},6~{S})-2-(2-acetamidoethoxy)-3,4,6-tris(oxidanyl)cyclohexane-1-carboxylic acid
Systematic Name (OpenEye OEToolkits)(1~{S},2~{R},3~{R},4~{S},6~{S})-2-(2-acetamidoethoxy)-3,4,6-tris(oxidanyl)cyclohexane-1-carboxylic acid
FormulaC11 H19 N O7
Molecular Weight277.271
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CC(=O)NCCO[CH]1[CH](O)[CH](O)C[CH](O)[CH]1C(O)=O
SMILESOpenEye OEToolkits3.1.0.0CC(=O)NCCOC1C(C(CC(C1O)O)O)C(=O)O
Canonical SMILESCACTVS3.385 CC(=O)NCCO[C@H]1[C@H](O)[C@@H](O)C[C@H](O)[C@@H]1C(O)=O
Canonical SMILESOpenEye OEToolkits3.1.0.0 CC(=O)NCCO[C@@H]1[C@H]([C@H](C[C@@H]([C@H]1O)O)O)C(=O)O
InChIInChI1.06 InChI=1S/C11H19NO7/c1-5(13)12-2-3-19-10-8(11(17)18)6(14)4-7(15)9(10)16/h6-10,14-16H,2-4H2,1H3,(H,12,13)(H,17,18)/t6-,7-,8-,9+,10+/m0/s1
InChIKeyInChI1.06 PCCLVLLYDLIJIM-RXKWGBCNSA-N

Related Resource References

Resource NameReference
PubChem 166175731