IDF

5-fluoro-alpha-L-idopyranosyluronic acid fluoride

Created:	2013-05-07
Last modified:	2020-07-17

Find Related PDB Entry
1 entries where IDF is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	5
Bond Count	22
Aromatic Bond Count	0

2D diagram of IDF

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	5-fluoro-alpha-L-idopyranosyluronic acid fluoride
Synonyms	5-fluoro-alpha-L-idosyluronic acid fluoride; 5-fluoro-L-idosyluronic acid fluoride; 5-fluoro-idosyluronic acid fluoride
Systematic Name (OpenEye OEToolkits)	(2S,3S,4R,5R,6S)-2,6-bis(fluoranyl)-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
Formula	C₆ H₈ F₂ O₆
Molecular Weight	214.121
Type	L-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC1OC(F)(C(=O)O)C(O)C(O)C1O
SMILES	CACTVS	3.370	O[CH]1[CH](F)O[C](F)([CH](O)[CH]1O)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	C1(C(C(OC(C1O)(C(=O)O)F)F)O)O
Canonical SMILES	CACTVS	3.370	O[C@H]1[C@H](F)O[C@](F)([C@@H](O)[C@@H]1O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	[C@H]1([C@H]([C@@H](O[C@]([C@H]1O)(C(=O)O)F)F)O)O
InChI	InChI	1.03	InChI=1S/C6H8F2O6/c7-4-2(10)1(9)3(11)6(8,14-4)5(12)13/h1-4,9-11H,(H,12,13)/t1-,2-,3+,4-,6-/m1/s1
InChIKey	InChI	1.03	NQKZMBDISJYOPD-ORELYVPDSA-N

Related Resource References

Resource Name	Reference
PubChem	71710910

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.