SEF

ethyl (R)-{10-[(hept-6-yn-1-ylcarbamoyl)oxy]decyl}phosphonofluoridate

Created:	2013-03-22
Last modified:	2024-09-27

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1 entries where SEF is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	64
Chiral Atom Count	1
Bond Count	63
Aromatic Bond Count	0

2D diagram of SEF

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Chemical Component Summary
Name	ethyl (R)-{10-[(hept-6-yn-1-ylcarbamoyl)oxy]decyl}phosphonofluoridate
Systematic Name (OpenEye OEToolkits)	10-[ethoxy(fluoranyl)phosphoryl]decyl N-hept-6-ynylcarbamate
Formula	C₂₀ H₃₇ F N O₄ P
Molecular Weight	405.484
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FP(=O)(OCC)CCCCCCCCCCOC(=O)NCCCCCC#C
SMILES	CACTVS	3.370	CCO[P](F)(=O)CCCCCCCCCCOC(=O)NCCCCCC#C
SMILES	OpenEye OEToolkits	1.7.6	CCOP(=O)(CCCCCCCCCCOC(=O)NCCCCCC#C)F
Canonical SMILES	CACTVS	3.370	CCO[P@](F)(=O)CCCCCCCCCCOC(=O)NCCCCCC#C
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCO[P@](=O)(CCCCCCCCCCOC(=O)NCCCCCC#C)F
InChI	InChI	1.03	InChI=1S/C20H37FNO4P/c1-3-5-6-11-14-17-22-20(23)25-18-15-12-9-7-8-10-13-16-19-27(21,24)26-4-2/h1H,4-19H2,2H3,(H,22,23)/t27-/m1/s1
InChIKey	InChI	1.03	JFCFPSBLBVUKMV-HHHXNRCGSA-N

Related Resource References

Resource Name	Reference
PubChem	137349993

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