YRQ

[(2S)-1-hydroxypropan-2-yl]phosphonic acid

Created:	2023-02-17
Last modified:	2023-06-14

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1 entries where YRQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	1
Bond Count	16
Aromatic Bond Count	0

2D diagram of YRQ

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Chemical Component Summary
Name	[(2S)-1-hydroxypropan-2-yl]phosphonic acid
Systematic Name (OpenEye OEToolkits)	[(2~{S})-1-oxidanylpropan-2-yl]phosphonic acid
Formula	C₃ H₉ O₄ P
Molecular Weight	140.075
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(CO)P(=O)(O)O
SMILES	CACTVS	3.385	C[CH](CO)[P](O)(O)=O
SMILES	OpenEye OEToolkits	2.0.7	CC(CO)P(=O)(O)O
Canonical SMILES	CACTVS	3.385	C[C@@H](CO)[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@@H](CO)P(=O)(O)O
InChI	InChI	1.06	InChI=1S/C3H9O4P/c1-3(2-4)8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/t3-/m0/s1
InChIKey	InChI	1.06	AAZGNRIYIVFCOY-VKHMYHEASA-N

Related Resource References

Resource Name	Reference
PubChem	168300980

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.