L69

[1-(4-oxidanylphenoxy)-1-phosphono-ethyl]phosphonic acid

Created:	2018-05-16
Last modified:	2021-03-01

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1 entries where L69 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	6

2D diagram of L69

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Chemical Component Summary
Name	[1-(4-oxidanylphenoxy)-1-phosphono-ethyl]phosphonic acid
Synonyms	L-690330
Systematic Name (OpenEye OEToolkits)	[1-(4-oxidanylphenoxy)-1-phosphono-ethyl]phosphonic acid
Formula	C₈ H₁₂ O₈ P₂
Molecular Weight	298.124
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(Oc1ccc(O)cc1)([P](O)(O)=O)[P](O)(O)=O
SMILES	OpenEye OEToolkits	2.0.6	CC(Oc1ccc(cc1)O)(P(=O)(O)O)P(=O)(O)O
Canonical SMILES	CACTVS	3.385	CC(Oc1ccc(O)cc1)([P](O)(O)=O)[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC(Oc1ccc(cc1)O)(P(=O)(O)O)P(=O)(O)O
InChI	InChI	1.03	InChI=1S/C8H12O8P2/c1-8(17(10,11)12,18(13,14)15)16-7-4-2-6(9)3-5-7/h2-5,9H,1H3,(H2,10,11,12)(H2,13,14,15)
InChIKey	InChI	1.03	JKOCAAWWDVHWKB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	132449
ChEMBL	CHEMBL34819
ChEBI	CHEBI:93993

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.