8I4

(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid

Created:2021-09-16
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count26
Chiral Atom Count4
Bond Count26
Aromatic Bond Count0
2D diagram of 8I4

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Chemical Component Summary

Name(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid
Systematic Name (OpenEye OEToolkits)(2~{R},3~{S},5~{S},6~{S})-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid
FormulaC7 H12 O7
Molecular Weight208.166
TypeSACCHARIDE

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385O[CH]1[CH](O)[CH](O)[CH]([CH](O)[CH]1O)C(O)=O
SMILESOpenEye OEToolkits2.0.7C1(C(C(C(C(C1O)O)O)O)O)C(=O)O
Canonical SMILESCACTVS3.385 O[C@@H]1[C@@H](O)[C@H](O)[C@H]([C@@H](O)[C@@H]1O)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 [C@H]1([C@@H](C([C@H]([C@@H](C1C(=O)O)O)O)O)O)O
InChIInChI1.06 InChI=1S/C7H12O7/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h1-6,8-12H,(H,13,14)/t1-,2-,3?,4+,5+,6-/m1/s1
InChIKeyInChI1.06 FMRFYBAGJDOHAJ-ZREPEFIBSA-N