JU7

6-cyclohexylhexyl beta-D-glucopyranoside

Created:	2018-09-24
Last modified:	2019-03-27

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1 entries where JU7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	58
Chiral Atom Count	5
Bond Count	59
Aromatic Bond Count	0

2D diagram of JU7

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Chemical Component Summary
Name	6-cyclohexylhexyl beta-D-glucopyranoside
Systematic Name (OpenEye OEToolkits)	(2~{R},3~{R},4~{S},5~{S},6~{R})-2-(6-cyclohexylhexoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Formula	C₁₈ H₃₄ O₆
Molecular Weight	346.459
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C1(C(C(C(OC1OCCCCCCC2CCCCC2)CO)O)O)O
SMILES	CACTVS	3.385	OC[CH]1O[CH](OCCCCCCC2CCCCC2)[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	2.0.6	C1CCC(CC1)CCCCCCOC2C(C(C(C(O2)CO)O)O)O
Canonical SMILES	CACTVS	3.385	OC[C@H]1O[C@@H](OCCCCCCC2CCCCC2)[C@H](O)[C@@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	2.0.6	C1CCC(CC1)CCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI	InChI	1.03	InChI=1S/C18H34O6/c19-12-14-15(20)16(21)17(22)18(24-14)23-11-7-2-1-4-8-13-9-5-3-6-10-13/h13-22H,1-12H2/t14-,15-,16+,17-,18-/m1/s1
InChIKey	InChI	1.03	IKXDBGTYPHAFNV-UYTYNIKBSA-N

Related Resource References

Resource Name	Reference
PubChem	53245652

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.