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CAS RN 5502-96-5

NH2NNNN(R)O(R)OPHOOOPOOO(R)O(R)(R)HO(S)HONOHO(R)HO(R)OPOHHOO

CAS RN 5502-96-5

IUPAC Name: 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-1λ⁵-pyridin-1-ylium
Synonyms: nicotinic acid adenine dinucleotide phosphate
Molecular Weight (g/mol): 744.39
Molecular Formula: C21H27N6O18P3
InChi Key: QOTXBMGJKFVZRD-HISDBWNOSA-N
SMILES: NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP([O-])(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)[N+]4=CC=CC(=C4)C(O)=O)[C@@H](O)[C@H]3OP(O)(O)=O)C2=NC=N1

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