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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1 entries where 8I4 is found as a standalone ligand1 entries where 8I4 is covalently linked to polymer or other heterogen groups 7 entries where 8I4 is found in a branched oligosaccharide

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	4
Bond Count	26
Aromatic Bond Count	0

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
Formula	C₇ H₁₂ O₇
Molecular Weight	208.166
Type	SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O[CH]1[CH](O)[CH](O)[CH]([CH](O)[CH]1O)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	C1(C(C(C(C(C1O)O)O)O)O)C(=O)O
Canonical SMILES	CACTVS	3.385	O[C@@H]1[C@@H](O)[C@H](O)[C@H]([C@@H](O)[C@@H]1O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	[C@H]1([C@@H](C([C@H]([C@@H](C1C(=O)O)O)O)O)O)O
InChI	InChI	1.06	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
InChIKey	InChI	1.06	FMRFYBAGJDOHAJ-ZREPEFIBSA-N

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