HX2

(2R,5R)-hexane-2,5-diol

Created:	2011-04-05
Last modified:	2011-06-04

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4 entries where HX2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	2
Bond Count	21
Aromatic Bond Count	0

2D diagram of HX2

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Chemical Component Summary
Name	(2R,5R)-hexane-2,5-diol
Systematic Name (OpenEye OEToolkits)	(2R,5R)-hexane-2,5-diol
Formula	C₆ H₁₄ O₂
Molecular Weight	118.174
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC(C)CCC(O)C
SMILES	CACTVS	3.370	C[CH](O)CC[CH](C)O
SMILES	OpenEye OEToolkits	1.7.0	CC(CCC(C)O)O
Canonical SMILES	CACTVS	3.370	C[C@@H](O)CC[C@@H](C)O
Canonical SMILES	OpenEye OEToolkits	1.7.0	C[C@H](CC[C@@H](C)O)O
InChI	InChI	1.03	InChI=1S/C6H14O2/c1-5(7)3-4-6(2)8/h5-8H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKey	InChI	1.03	OHMBHFSEKCCCBW-PHDIDXHHSA-N

Related Resource References

Resource Name	Reference
PubChem	2733360

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.