GFM

2'-deoxy-5'-O-[(S)-{[(S)-[(1R)-1-fluoro-1-phosphonoethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine

Created:	2009-09-14
Last modified:	2011-06-04

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1 entries where GFM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	52
Chiral Atom Count	4
Bond Count	54
Aromatic Bond Count	5

2D diagram of GFM

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Chemical Component Summary
Name	2'-deoxy-5'-O-[(S)-{[(S)-[(1R)-1-fluoro-1-phosphonoethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine
Systematic Name (OpenEye OEToolkits)	[(1R)-1-[[[(2R,3S,5R)-5-(2-azanyl-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]-1-fluoro-ethyl]phosphonic acid
Formula	C₁₂ H₁₉ F N₅ O₁₂ P₃
Molecular Weight	537.225
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	O=P(O)(O)C(F)(C)P(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O
SMILES	CACTVS	3.352	C[C](F)([P](O)(O)=O)[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH](C[CH]1O)n2cnc3C(=O)NC(=Nc23)N
SMILES	OpenEye OEToolkits	1.7.0	CC(F)(P(=O)(O)O)P(=O)(O)OP(=O)(O)OCC1C(CC(O1)n2cnc3c2N=C(NC3=O)N)O
Canonical SMILES	CACTVS	3.352	C[C@@](F)([P](O)(O)=O)[P](O)(=O)O[P](O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n2cnc3C(=O)NC(=Nc23)N
Canonical SMILES	OpenEye OEToolkits	1.7.0	C[C@](F)([P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)P(=O)(O)O
InChI	InChI	1.03	InChI=1S/C12H19FN5O12P3/c1-12(13,31(21,22)23)32(24,25)30-33(26,27)28-3-6-5(19)2-7(29-6)18-4-15-8-9(18)16-11(14)17-10(8)20/h4-7,19H,2-3H2,1H3,(H,24,25)(H,26,27)(H2,21,22,23)(H3,14,16,17,20)/t5-,6+,7+,12+/m0/s1
InChIKey	InChI	1.03	MKPYQNARCBWQRN-WGVJZOHMSA-N

Related Resource References

Resource Name	Reference
PubChem	45480164, 135566494

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