2'-Deoxyribavirin triphosphate

[[(2R,3S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Also Known As: 2'-Deoxyribavirin triphosphate|J1.912.116J|({[({[(2R,3S,5R)-5-(3-carbamoyl-1H-1,2,4-triazol-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid|[[(2R,3S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate|1-(2-Deoxy-5-O-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-D-erythro-pentofuranosyl)-1H-1,2,4-triazole-3-carboxamide|1-(3-Carbamoyl-1H-1,2,4-triazole-1-yl)-1,2-dideoxy-beta-D-erythro-pentofuranose 5-triphosphoric acid|1-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-erythro-pentofuranosyl]-1H-1,2,4-triazole-3-carboxamide|1H-1,2,4-triazole-3-carboxamide, 1-[2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-beta-D-erythro-pentofuranosyl]-|1H-1,2,4-Triazole-3-carboxamide, 1-[2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-beta-D-erythro-pentofuranosyl]- (9CI)

Molecular Formula	C8H15N4O13P3
Molecular Weight	467.98483 g/mol
LogP	-5.3
Topological Polar Surface Area	263.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	15
Rotatable Bonds	9
Exact Mass	467.98483
Monoisotopic Mass	467.98483
Heavy Atoms	28
Complexity	731.0

Chemical Identifiers

CAS Number	532935-49-2
SMILES	C1[C@@H]([C@H](O[C@H]1N2C=NC(=N2)C(=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
InChIKey	FKUHJIXCXJPSTE-KVQBGUIXSA-N