AC1L4IY5

[hydroxy-[[(2R,3S,5S)-3-hydroxy-5-(2-methoxy-5-methyl-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate

Also Known As: O(2)-Methylthymidine triphosphate|4(1H)-Pyrimidinone, 1-(2-deoxy-5-O-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-D-erythro-pentofuranosyl)-2-methoxy-5-methyl-|[hydroxy-[[(2R,3S,5S)-3-hydroxy-5-(2-methoxy-5-methyl-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate|1-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-alpha-D-erythro-pentofuranosyl]-2-methoxy-5-methylpyrimidin-4(1H)-one|1-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-2-methoxy-5-methylpyrimidin-4(1H)-one

Molecular Formula	C11H19N2O14P3
Molecular Weight	496.0049 g/mol
LogP	-4.1
Topological Polar Surface Area	231.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	14
Rotatable Bonds	9
Exact Mass	496.0049
Monoisotopic Mass	496.0049
Heavy Atoms	30
Complexity	882.0

Chemical Identifiers

CAS Number	83133-65-7
SMILES	CC1=CN(C(=NC1=O)OC)[C@@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
InChIKey	WFEAENBMBNSJLR-YIZRAAEISA-N