5'-O-Triphosphomethyl-3-FdT

[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid

Also Known As: 5'-O-Triphosphomethyl-3-FdT|5'-O-(Triphosphomethyl)-3'-deoxy-3'-fluorothymidine|Thymidine, 3'-deoxy-3'-fluoro-5'-O-(2,4,6,6-tetrahydroxy-2,4,6-trioxido-3,5-dioxa-2,4,6-triphosphahex-1-yl)-|[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid|[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid|3'-Deoxy-3'-fluoro-5'-O-[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)methyl]thymidine

Molecular Formula	C11H18FN2O13P3
Molecular Weight	498.00058 g/mol
LogP	-3.7
Topological Polar Surface Area	218.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	14
Rotatable Bonds	9
Exact Mass	498.00058
Monoisotopic Mass	498.00058
Heavy Atoms	30
Complexity	874.0

Chemical Identifiers

CAS Number	129151-76-4
SMILES	CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COCP(=O)(O)OP(=O)(O)OP(=O)(O)O)F
InChIKey	ZYJUSNQMBUQVGJ-DJLDLDEBSA-N