0XY

5-fluoro-N-acetyl-alpha-D-glucosamine

Created:	2012-09-05
Last modified:	2024-09-27

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1 entries where 0XY is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	5
Bond Count	30
Aromatic Bond Count	0

2D diagram of 0XY

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Chemical Component Summary
Name	5-fluoro-N-acetyl-alpha-D-glucosamine
Synonyms	N-[(2S,3R,4R,5S,6S)-6-fluoro-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]acetamide
Systematic Name (OpenEye OEToolkits)	N-[(2R,3R,4R,5S,6S)-6-fluoranyl-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide
Formula	C₈ H₁₄ F N O₆
Molecular Weight	239.198
Type	D-SACCHARIDE, ALPHA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC1(OC(O)C(NC(=O)C)C(O)C1O)CO
SMILES	CACTVS	3.370	CC(=O)N[CH]1[CH](O)O[C](F)(CO)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.7.6	CC(=O)NC1C(C(C(OC1O)(CO)F)O)O
Canonical SMILES	CACTVS	3.370	CC(=O)N[C@H]1[C@@H](O)O[C@](F)(CO)[C@@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CC(=O)N[C@@H]1[C@H]([C@@H]([C@](O[C@H]1O)(CO)F)O)O
InChI	InChI	1.03	InChI=1S/C8H14FNO6/c1-3(12)10-4-5(13)6(14)8(9,2-11)16-7(4)15/h4-7,11,13-15H,2H2,1H3,(H,10,12)/t4-,5-,6+,7?,8-/m1/s1
InChIKey	InChI	1.03	FRZYHGPCSHDXIZ-JTFAZQEDSA-N

Related Resource References

Resource Name	Reference
PubChem	70679361

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.