3,3'-Dithiobis(2'-O-6-(propionylamino)hexanoyl)adenosine 5'-triphosphate

[(2S,3R,4R,5R)-2-[6-amino-3-[[6-amino-9-[(2S,3R,4R,5R)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-3-[6-(propanoylamino)hexanoyloxy]oxolan-2-yl]-4H-purin-3-yl]disulfanyl]-4H-purin-9-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 6-(propanoylamino)hexanoate

Also Known As: 2'-Bis22ATP|triphenylstannyl 2-phenoxyacetate|trimethoxysilylmethyl 2-(2-methylphenoxy)acetate|3,3'-Dithiobis(2'-O-6-(propionylamino)hexanoyl)adenosine 5'-triphosphate|Cyclohexadienylium, 6-(acetyloxy)-3,6-dimethyl-|tris(4-methoxyphenyl)-(2-trimethylsilylethylidene)-|E5-phosphane|[(2S,3R,4R,5R)-2-[6-amino-3-[[6-amino-9-[(2S,3R,4R,5R)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-3-[6-(propanoylamino)hexanoyloxy]oxolan-2-yl]-4H-purin-3-yl]disulfanyl]-4H-purin-9-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 6-(propanoylamino)hexanoate|[(2S,3R,4R,5R)-2-[6-amino-3-[[6-amino-9-[(2S,3R,4R,5R)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-3-[6-(propanoylamino)hexanoyloxy]oxolan-2-yl]-4H-purin-3-yl]disulfanyl]-4H-purin-9-yl]-4-hydroxy-5-(hydroxymethyl)oxolan

Molecular Formula	C38H61N12O21P3S2
Molecular Weight	1178.2728 g/mol
LogP	-6.5
Topological Polar Surface Area	515.0 Ų
Hydrogen Bond Donors	11
Hydrogen Bond Acceptors	29
Rotatable Bonds	31
Exact Mass	1178.2728
Monoisotopic Mass	1178.2728
Heavy Atoms	76
Complexity	2460.0

Chemical Identifiers

CAS Number	104697-90-7
SMILES	CCC(=O)NCCCCCC(=O)O[C@@H]1[C@@H]([C@H](O[C@@H]1N2C=NC3=C(N=CN(C32)SSN4C=NC(=C5C4N(C=N5)[C@@H]6[C@@H]([C@@H]([C@H](O6)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)OC(=O)CCCCCNC(=O)CC)N)N)CO)O
InChIKey	LYPCLHKTUAEYOT-AHPLQVIFSA-N