Pyridoxal 5'-diphospho-5'-adenosine

[[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl hydrogen phosphate

Also Known As: ADP-Pyridoxal|AP2PL|Adenosine diphosphopyridoxal|pyridoxal 5'-diphospho-5'-adenosine|5'-Adenosine-5'-diphosphopyridoxal|PYRIDOXAL-ADENINE DINUCLEOTIDE|[[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl hydrogen phosphate|Adenosine 5'-(trihydrogen diphosphate), P'-((4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl) ester|5'-o-[({[(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosine|9-{5-O-[({[(4-Formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-D-ribofuranosyl}-9H-purin-6-amine|9-{5-O-[({[(4-Formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]pentofuranosyl}-9H-purin-6-amine

Molecular Formula	C18H22N6O12P2
Molecular Weight	576.0771 g/mol
LogP	-0.3
Topological Polar Surface Area	271.79 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	16
Rotatable Bonds	10
Exact Mass	576.0771
Heavy Atoms	38
Complexity	1452.7

Chemical Identifiers

CAS Number	4500-99-6
SMILES	CC1=NC=C(C(=C1O)C=O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H](C(O2)N3C=NC4=C(N=CN=C43)N)O)O