Nicotinic Acid Adenine Dinucleotide Phosphate

[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carboxypyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate

Also Known As: NAADP|NAADP tetrasodium salt|Nicotinic acid adenine dinucleotide phosphate|Nicotinate adenine dinucleotide phosphate|Nicotic acid-adenine dinucleotide phosphate|Nicotinic acid adenine dinucleotide phosphate tetrasodium salt|[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carboxypyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate|[(2R,3S,4R,5R)-5-(3-carboxypyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate|[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(3-carboxypyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate|[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]|[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(3-carboxypyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate|1-[(2R,3R,4S,5R)-5-{[({[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl phosphonato)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-3-carboxy-1lambda5-pyridin-1-ylium|1-[5-O-[(2 -O-Phosphono-5 -adenylyloxy)oxylatophosphinyl]-beta-D-ribofuranosyl]-3-carboxypyridinium|Adenosine 5 inverted exclamation marka-(trihydrogen diphosphate), 2 inverted exclamation marka-(dihydrogen phosphate), P inverted exclamation marka inverted exclamation marku5 inverted exclamation marka-ester with 3-carboxy-1-|A-D-ribofuranosylpyridinium, inner salt|Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'-->5'-ester with 3-carboxy-1-beta-D-ribofuranosylpyridinium, inner salt|Adenosine 5'-(trihydrogendiphosphate), 2'-(dihydrogen phosphate), 5'-5'-ester with 3-carboxy-1-beta-D-ribofuranosylpyridinium hydroxide, inner salt

Molecular Formula	C21H27N6O18P3
Molecular Weight	744.05945 g/mol
LogP	-6.5
Topological Polar Surface Area	362.0 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	22
Rotatable Bonds	13
Exact Mass	744.05945
Monoisotopic Mass	744.05945
Heavy Atoms	48
Complexity	1290.0

Chemical Identifiers

CAS Number	5502-96-5
SMILES	C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)O
InChIKey	QOTXBMGJKFVZRD-HISDBWNOSA-N