WFL

5'-O-[(R)-(butylamino)(hydroxy)phosphoryl]adenosine

Created:	2023-10-02
Last modified:	2024-10-16

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1 entries where WFL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	4
Bond Count	52
Aromatic Bond Count	10

2D diagram of WFL

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Chemical Component Summary
Name	5'-O-[(R)-(butylamino)(hydroxy)phosphoryl]adenosine
Systematic Name (OpenEye OEToolkits)	[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-butyl-phosphonamidic acid
Formula	C₁₄ H₂₃ N₆ O₆ P
Molecular Weight	402.343
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CCCCNP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
SMILES	CACTVS	3.385	CCCCN[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
SMILES	OpenEye OEToolkits	2.0.7	CCCCNP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
Canonical SMILES	CACTVS	3.385	CCCCN[P](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCCNP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
InChI	InChI	1.06	InChI=1S/C14H23N6O6P/c1-2-3-4-19-27(23,24)25-5-8-10(21)11(22)14(26-8)20-7-18-9-12(15)16-6-17-13(9)20/h6-8,10-11,14,21-22H,2-5H2,1H3,(H2,15,16,17)(H2,19,23,24)/t8-,10-,11-,14-/m1/s1
InChIKey	InChI	1.06	JCDWYZKYCCUIPS-IDTAVKCVSA-N

Related Resource References

Resource Name	Reference
PubChem	172053289

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