ADP-ribose 2'-phosphate

[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] hydrogen phosphate

Also Known As: ADP-ribose 2'-phosphate|ADPribose 2'-phosphate|2'-phospho-ADP-ribose|adenosine diphosphate ribose|ADP-D-ribose 2'-phosphate|ADP-Ribose 2'-phosphoric acid|Adenosine 2'-phosphate 5'-diphosphate ribose|Adenosine 2a(2)-phosphate 5a(2)-diphosphate ribose|{[(2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-5-[({[({[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxy}phosphonic acid|2'-phosphoadenosine 5'-[3-(D-ribofuranosyl) dihydrogen diphosphate]|Adenosine 2 -phosphoric acid 5 -[diphosphoric acid P2-(beta-D-ribofuranosyl)] ester|(((2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-5-((((((((2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)methyl)-4-hydroxyoxolan-3-yl)oxy)phosphonate|(((2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-5-((((((((2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)methyl)-4-hydroxyoxolan-3-yl)oxy)phosphonic acid|[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] hydrogen phosphate|{[(2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-5-[({[({[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxy}phosphonate

Molecular Formula	C15H24N5O17P3
Molecular Weight	639.038 g/mol
LogP	-6.7
Topological Polar Surface Area	338.0 Ų
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	21
Rotatable Bonds	11
Exact Mass	639.038
Monoisotopic Mass	639.038
Heavy Atoms	40
Complexity	1040.0

Chemical Identifiers

CAS Number	4197-14-2
SMILES	C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)O)OP(=O)(O)O)N
InChIKey	OCOLIMYIUOUURJ-ZQSHOCFMSA-N