WV5

(2R,3R,4R,5S)-1-[8-(furan-2-yl)octyl]-2-(hydroxymethyl)piperidine-3,4,5-triol

Created:	2022-10-20
Last modified:	2023-02-22

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1 entries where WV5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	55
Chiral Atom Count	4
Bond Count	56
Aromatic Bond Count	5

2D diagram of WV5

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Chemical Component Summary
Name	(2R,3R,4R,5S)-1-[8-(furan-2-yl)octyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
Systematic Name (OpenEye OEToolkits)	(2~{R},3~{R},4~{R},5~{S})-1-[8-(furan-2-yl)octyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
Formula	C₁₈ H₃₁ N O₅
Molecular Weight	341.442
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OCC1C(O)C(O)C(O)CN1CCCCCCCCc1ccco1
SMILES	CACTVS	3.385	OC[CH]1[CH](O)[CH](O)[CH](O)CN1CCCCCCCCc2occc2
SMILES	OpenEye OEToolkits	2.0.7	c1cc(oc1)CCCCCCCCN2CC(C(C(C2CO)O)O)O
Canonical SMILES	CACTVS	3.385	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCCCc2occc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(oc1)CCCCCCCCN2C[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O
InChI	InChI	1.06	InChI=1S/C18H31NO5/c20-13-15-17(22)18(23)16(21)12-19(15)10-6-4-2-1-3-5-8-14-9-7-11-24-14/h7,9,11,15-18,20-23H,1-6,8,10,12-13H2/t15-,16+,17-,18-/m1/s1
InChIKey	InChI	1.06	SVEHLYNGWWEMLW-XMTFNYHQSA-N

Related Resource References

Resource Name	Reference
PubChem	135334698

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.