8YV

2-keto-D-gluconic acid

Created:	2017-03-21
Last modified:	2020-06-24

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1 entries where 8YV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	3
Bond Count	22
Aromatic Bond Count	0

2D diagram of 8YV

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Chemical Component Summary
Name	2-keto-D-gluconic acid
Synonyms	(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoic acid; D-fructosonic acid
Systematic Name (OpenEye OEToolkits)	(3~{S},4~{R},5~{R})-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexanoic acid
Formula	C₆ H₁₀ O₇
Molecular Weight	194.139
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(C(CO)O)(O)C(C(C(=O)O)=O)O
SMILES	CACTVS	3.385	OC[CH](O)[CH](O)[CH](O)C(=O)C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	C(C(C(C(C(=O)C(=O)O)O)O)O)O
Canonical SMILES	CACTVS	3.385	OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	C([C@H]([C@H]([C@@H](C(=O)C(=O)O)O)O)O)O
InChI	InChI	1.03	InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)/t2-,3-,4+/m1/s1
InChIKey	InChI	1.03	VBUYCZFBVCCYFD-JJYYJPOSSA-N

Related Resource References

Resource Name	Reference
PubChem	3035456
ChEBI	CHEBI:27469

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