1QY

tetradecyl hydrogen (R)-(3-azidopropyl)phosphonate

Created:	2013-05-01
Last modified:	2024-09-27

Find Related PDB Entry
1 entries where 1QY is covalently linked to polymer or other heterogen groups

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	60
Chiral Atom Count	0
Bond Count	59
Aromatic Bond Count	0

2D diagram of 1QY

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	tetradecyl hydrogen (R)-(3-azidopropyl)phosphonate
Systematic Name (OpenEye OEToolkits)	3-azidopropyl(tetradecoxy)phosphinic acid
Formula	C₁₇ H₃₆ N₃ O₃ P
Molecular Weight	361.46
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	[N-]=[N+]=N\CCCP(=O)(OCCCCCCCCCCCCCC)O
SMILES	CACTVS	3.370	CCCCCCCCCCCCCCO[P](O)(=O)CCCN=[N+]=[N-]
SMILES	OpenEye OEToolkits	1.7.6	CCCCCCCCCCCCCCOP(=O)(CCCN=[N+]=[N-])O
Canonical SMILES	CACTVS	3.370	CCCCCCCCCCCCCCO[P](O)(=O)CCCN=[N+]=[N-]
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCCCCCCCCCCCCCO[P@@](=O)(CCCN=[N+]=[N-])O
InChI	InChI	1.03	InChI=1S/C17H36N3O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-23-24(21,22)17-14-15-19-20-18/h2-17H2,1H3,(H,21,22)
InChIKey	InChI	1.03	VPIQHARZTFLBCM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	137347982

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.