1R1

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

Created:	2013-05-02
Last modified:	2024-09-27

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Chemical Details
Formal Charge	0
Atom Count	66
Chiral Atom Count	0
Bond Count	65
Aromatic Bond Count	0

2D diagram of 1R1

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Chemical Component Summary
Name	hexadecyl hydrogen (R)-(3-azidopropyl)phosphonate
Systematic Name (OpenEye OEToolkits)	3-azidopropyl(hexadecoxy)phosphinic acid
Formula	C₁₉ H₄₀ N₃ O₃ P
Molecular Weight	389.513
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	[N-]=[N+]=N\CCCP(=O)(OCCCCCCCCCCCCCCCC)O
SMILES	CACTVS	3.370	CCCCCCCCCCCCCCCCO[P](O)(=O)CCCN=[N+]=[N-]
SMILES	OpenEye OEToolkits	1.7.6	CCCCCCCCCCCCCCCCOP(=O)(CCCN=[N+]=[N-])O
Canonical SMILES	CACTVS	3.370	CCCCCCCCCCCCCCCCO[P](O)(=O)CCCN=[N+]=[N-]
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCCCCCCCCCCCCCCCOP(=O)(CCCN=[N+]=[N-])O
InChI	InChI	1.03	InChI=1S/C19H40N3O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-26(23,24)19-16-17-21-22-20/h2-19H2,1H3,(H,23,24)
InChIKey	InChI	1.03	HEAPPSCQSYJNSZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	137347983

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