B9D

5-fluoro-alpha-L-idopyranose

Created:	2009-08-18
Last modified:	2024-09-27

Find Related PDB Entry
4 entries where B9D is covalently linked to polymer or other heterogen groups 2 entries where B9D is found in a branched oligosaccharide

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	24
Chiral Atom Count	5
Bond Count	24
Aromatic Bond Count	0

2D diagram of B9D

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	5-fluoro-alpha-L-idopyranose
Synonyms	(2R,3R,4R,5S,6R)-6-fluoranyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; 5-fluoro-alpha-L-idose; 5-fluoro-L-idose; 5-fluoro-idose
Systematic Name (OpenEye OEToolkits)	(2R,3R,4R,5S,6R)-6-fluoranyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
Formula	C₆ H₁₁ F O₆
Molecular Weight	198.146
Type	L-SACCHARIDE, ALPHA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC1(OC(O)C(O)C(O)C1O)CO
SMILES	CACTVS	3.370	OC[C]1(F)O[CH](O)[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.7.6	C(C1(C(C(C(C(O1)O)O)O)O)F)O
Canonical SMILES	CACTVS	3.370	OC[C@]1(F)O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C([C@]1([C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)F)O
InChI	InChI	1.03	InChI=1S/C6H11FO6/c7-6(1-8)4(11)2(9)3(10)5(12)13-6/h2-5,8-12H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKey	InChI	1.03	YQZCKDSOGGIGPL-DVKNGEFBSA-N

Related Resource References

Resource Name	Reference
PubChem	44241502

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.