Pyridoxal(5')diphospho(1)-glucose

disodium;[(4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methoxy-oxidophosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate

Also Known As: 5-Pdpg|Pyridoxal(5')diphospho(1)-glucose|alpha-D-Glucopyranose, 1-(P'-((4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl) dihydrogen diphosphate), disodium salt|Disodium;[(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy-oxidophosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate|a-D-Glucopyranose,1-[P'-[(4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl] dihydrogendiphosphate], disodium salt (9CI)|disodium [(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy-oxidophosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate

Molecular Formula	C14H19NNa2O14P2
Molecular Weight	533.0076 g/mol
LogP	-8.79738
Topological Polar Surface Area	248.29 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	15
Rotatable Bonds	9
Exact Mass	533.0076
Monoisotopic Mass	533.0076
Heavy Atoms	33
Complexity	904.8935

Chemical Identifiers

CAS Number	80503-46-4
SMILES	CC1=NC=C(C(=C1O)C=O)COP(=O)([O-])OP(=O)([O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O.[Na+].[Na+]