(S-dinitrophenyl)-6-mercaptopurine riboside triphosphate

[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-(2,4-dinitrophenyl)sulfanylpurin-6-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate

Also Known As: DMRT|Diazene,(2,4-dinitrophenyl)phenyl|(S-Dinitrophenyl)-6-mercaptopurine riboside triphosphate|[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-2-(2,4-dinitrophenyl)sulfanylpurin-6-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate|9-(5-deoxy-|A-d-ribofuranosyl)-2-[(2,4-dinitrophenyl)sulfanyl]-6-[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]-9h-purine|9H-Purine, 6-((2,4-dinitrophenyl)thio)-9-(5-O-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-D-ribofuranosyl)-|1-[6-(2,4-dinitro-phenylsulfanyl)-purin-9-yl]-O5-(tetrahydroxy-[1]triphosphoryl)-|A-D-1-deoxy-ribofuranose|9-(5-deoxy-beta-D-ribofuranosyl)-2-[(2,4-dinitrophenyl)sulfanyl]-6-[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]-9H-purine|9-(5-Deoxypentofuranosyl)-2-[(2,4-dinitrophenyl)sulfanyl]-6-[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)oxy]-9H-purine

Molecular Formula	C16H17N6O17P3S
Molecular Weight	689.9584 g/mol
LogP	-2.5
Topological Polar Surface Area	370.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	21
Rotatable Bonds	9
Exact Mass	689.9584
Monoisotopic Mass	689.9584
Heavy Atoms	43
Complexity	1210.0

Chemical Identifiers

CAS Number	5461-61-0
SMILES	C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=C(N=C3OP(=O)(O)OP(=O)(O)OP(=O)(O)O)SC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])O)O
InChIKey	ABUGVBRDFWGJRD-CHOYNLESSA-N