P(1)-adenylyl-5'-2'-adenylyl-5'-2'-adenosyl-P(3)-n-decylaminotriphosphate

[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-N-decylphosphonamidic acid

Also Known As: Dnpppapapa|n-Decyl-nhpppa2'p5'A2'p5'A|KST-1A0083|[[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-N-decylphosphonamidic acid|P(1)-Adenylyl-5'-2'-adenylyl-5'-2'-adenosyl-P(3)-n-decylaminotriphosphate|[[[(2r,3r,5r)-5-(6-aminopurin-9-yl)-4-[[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-n-decyl-phosphonamidic acid

Molecular Formula	C40H61N16O24P5
Molecular Weight	1304.2733 g/mol
LogP	-6.1
Topological Polar Surface Area	581.0 Ų
Hydrogen Bond Donors	13
Hydrogen Bond Acceptors	37
Rotatable Bonds	30
Exact Mass	1304.2733
Monoisotopic Mass	1304.2733
Heavy Atoms	85
Complexity	2460.0

Chemical Identifiers

CAS Number	4601-06-3
SMILES	CCCCCCCCCCNP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H](C([C@@H](O1)N2C=NC3=C(N=CN=C32)N)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)OP(=O)(O)OC[C@@H]7[C@H]([C@H]([C@@H](O7)N8C=NC9=C(N=CN=C98)N)O)O)O)O
InChIKey	DUHGULOUBZGUTH-HFSNTALBSA-N