1JW

(2S)-hexane-1,2,6-triol

Created:	2021-06-12
Last modified:	2021-11-03

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2 entries where 1JW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	1
Bond Count	22
Aromatic Bond Count	0

2D diagram of 1JW

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Chemical Component Summary
Name	(2S)-hexane-1,2,6-triol
Synonyms	(-)-1,2,6-Hexanetriol; 6999990
Systematic Name (OpenEye OEToolkits)	(2~{S})-hexane-1,2,6-triol
Formula	C₆ H₁₄ O₃
Molecular Weight	134.174
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OCCCC[CH](O)CO
SMILES	OpenEye OEToolkits	2.0.7	C(CCO)CC(CO)O
Canonical SMILES	CACTVS	3.385	OCCCC[C@H](O)CO
Canonical SMILES	OpenEye OEToolkits	2.0.7	C(CCO)C[C@@H](CO)O
InChI	InChI	1.03	InChI=1S/C6H14O3/c7-4-2-1-3-6(9)5-8/h6-9H,1-5H2/t6-/m0/s1
InChIKey	InChI	1.03	ZWVMLYRJXORSEP-LURJTMIESA-N

Related Resource References

Resource Name	Reference
PubChem	6999990

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