5ZG

ethyl-4-methylbenzylphosphonate

Created:	2021-07-21
Last modified:	2022-08-03

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1 entries where 5ZG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	6

2D diagram of 5ZG

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Chemical Component Summary
Name	ethyl-4-methylbenzylphosphonate
Systematic Name (OpenEye OEToolkits)	ethoxy-[(4-methylphenyl)methyl]phosphinic acid
Formula	C₁₀ H₁₅ O₃ P
Molecular Weight	214.198
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCO[P](O)(=O)Cc1ccc(C)cc1
SMILES	OpenEye OEToolkits	2.0.7	CCOP(=O)(Cc1ccc(cc1)C)O
Canonical SMILES	CACTVS	3.385	CCO[P](O)(=O)Cc1ccc(C)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCOP(=O)(Cc1ccc(cc1)C)O
InChI	InChI	1.03	InChI=1S/C10H15O3P/c1-3-13-14(11,12)8-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,11,12)
InChIKey	InChI	1.03	UGYWRBROZXWBSU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	87175446

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.