HEE

N-HEXYLPHOSPHONATE ETHYL ESTER

Created:	1999-07-08
Last modified:	2024-09-27

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1 entries where HEE is found as a standalone ligand3 entries where HEE is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	1
Bond Count	30
Aromatic Bond Count	0

2D diagram of HEE

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Chemical Component Summary
Name	N-HEXYLPHOSPHONATE ETHYL ESTER
Systematic Name (OpenEye OEToolkits)	ethoxy-hexyl-phosphinic acid
Formula	C₈ H₁₉ O₃ P
Molecular Weight	194.208
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(OCC)CCCCCC
SMILES	CACTVS	3.341	CCCCCC[P](O)(=O)OCC
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCP(=O)(O)OCC
Canonical SMILES	CACTVS	3.341	CCCCCC[P@@](O)(=O)OCC
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCC[P@](=O)(O)OCC
InChI	InChI	1.03	InChI=1S/C8H19O3P/c1-3-5-6-7-8-12(9,10)11-4-2/h3-8H2,1-2H3,(H,9,10)
InChIKey	InChI	1.03	XPLOQMVUXWZLET-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04321 ?
Name	N-Hexylphosphonate Ethyl Ester
Groups	experimental
Synonyms	N-Hexylphosphonate Ethyl Ester

Related Resource References

Resource Name	Reference
PubChem	446896
ChEMBL	CHEMBL119521

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