FTD

[(2R,5S)-5-(4-amino-5-fluoro-2-oxo-3,6-dihydropyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl trihydrogen diphosphate

Created:	2012-01-06
Last modified:	2014-08-27

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1 entries where FTD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	2
Bond Count	39
Aromatic Bond Count	0

2D diagram of FTD

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Chemical Component Summary
Name	[(2R,5S)-5-(4-amino-5-fluoro-2-oxo-3,6-dihydropyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl trihydrogen diphosphate
Systematic Name (OpenEye OEToolkits)	[(2R,5S)-5-(6-azanyl-5-fluoranyl-2-oxidanylidene-1,4-dihydropyrimidin-3-yl)-1,3-oxathiolan-2-yl]methyl phosphono hydrogen phosphate
Formula	C₈ H₁₄ F N₃ O₉ P₂ S
Molecular Weight	409.222
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=C(F)C1)N)CS2
SMILES	CACTVS	3.370	NC1=C(F)CN([CH]2CS[CH](CO[P](O)(=O)O[P](O)(O)=O)O2)C(=O)N1
SMILES	OpenEye OEToolkits	1.7.6	C1C(OC(S1)COP(=O)(O)OP(=O)(O)O)N2CC(=C(NC2=O)N)F
Canonical SMILES	CACTVS	3.370	NC1=C(F)CN([C@@H]2CS[C@H](CO[P](O)(=O)O[P](O)(O)=O)O2)C(=O)N1
Canonical SMILES	OpenEye OEToolkits	1.7.6	C1[C@H](O[C@H](S1)COP(=O)(O)OP(=O)(O)O)N2CC(=C(NC2=O)N)F
InChI	InChI	1.03	InChI=1S/C8H14FN3O9P2S/c9-4-1-12(8(13)11-7(4)10)5-3-24-6(20-5)2-19-23(17,18)21-22(14,15)16/h5-6H,1-3,10H2,(H,11,13)(H,17,18)(H2,14,15,16)/t5-,6+/m0/s1
InChIKey	InChI	1.03	DSUZHKWUVJBGFZ-NTSWFWBYSA-N

Related Resource References

Resource Name	Reference
PubChem	137349370

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