5FX

5-deoxy-5-fluoro-D-xylulose

Created:	2012-08-14
Last modified:	2014-09-05

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1 entries where 5FX is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	2
Bond Count	18
Aromatic Bond Count	0

2D diagram of 5FX

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Chemical Component Summary
Name	5-deoxy-5-fluoro-D-xylulose
Systematic Name (OpenEye OEToolkits)	(3S,4S)-5-fluoranyl-1,3,4-tris(oxidanyl)pentan-2-one
Formula	C₅ H₉ F O₄
Molecular Weight	152.121
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(CO)C(O)C(O)CF
SMILES	CACTVS	3.385	OCC(=O)[CH](O)[CH](O)CF
SMILES	OpenEye OEToolkits	1.9.2	C(C(C(C(=O)CO)O)O)F
Canonical SMILES	CACTVS	3.385	OCC(=O)[C@@H](O)[C@H](O)CF
Canonical SMILES	OpenEye OEToolkits	1.9.2	C([C@H]([C@@H](C(=O)CO)O)O)F
InChI	InChI	1.03	InChI=1S/C5H9FO4/c6-1-3(8)5(10)4(9)2-7/h3,5,7-8,10H,1-2H2/t3-,5+/m1/s1
InChIKey	InChI	1.03	DZPAPJMTQBXJAM-WUJLRWPWSA-N

Related Resource References

Resource Name	Reference
PubChem	11744814

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