XDN

PIPERIDINE-3,4,5-TRIOL

Created:	2000-08-16
Last modified:	2021-03-01

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3 entries where XDN is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	3
Bond Count	20
Aromatic Bond Count	0

2D diagram of XDN

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Chemical Component Summary
Name	PIPERIDINE-3,4,5-TRIOL
Synonyms	XYLOSE-DERIVED 1-DEOXY-NOJIRIMYCIN
Systematic Name (OpenEye OEToolkits)	(3R,5S)-piperidine-3,4,5-triol
Formula	C₅ H₁₁ N O₃
Molecular Weight	133.146
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC1CNCC(O)C1O
SMILES	CACTVS	3.370	O[CH]1CNC[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.7.6	C1C(C(C(CN1)O)O)O
Canonical SMILES	CACTVS	3.370	O[C@H]1CNC[C@@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C1[C@H](C([C@H](CN1)O)O)O
InChI	InChI	1.03	InChI=1S/C5H11NO3/c7-3-1-6-2-4(8)5(3)9/h3-9H,1-2H2/t3-,4+,5+
InChIKey	InChI	1.03	RMCNETIHECSPMZ-SCDXWVJYSA-N

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.