ADP-Mannose

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate

Also Known As: ADP-mannose|APD-D-mannose|ADPmannose|ADP-alpha-D-mannose|adenosine diphosphate-mannose|adenosine diphosphate glucose|[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate|adenosine 5'-[3-(alpha-D-mannopyranosyl) dihydrogen diphosphate]|{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[hydroxy({[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphoryl]oxy})phosphinic acid|Adenosine 5 -[diphosphoric acid P2-(alpha-D-mannopyranosyl)] ester|Adenosine 5 -diphosphoric acid beta-(alpha-D-mannopyranosyl) ester|(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy)(((hydroxy((((2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy))phosphoryl)oxy))phosphinic acid|(((2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy-hydroxyphosphoryl) ((2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl) hydrogen phosphate|[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl dihydrogen diphosphate

Molecular Formula	C16H25N5O15P2
Molecular Weight	589.0822 g/mol
LogP	-6.2
Topological Polar Surface Area	312.0 Ų
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	19
Rotatable Bonds	9
Exact Mass	589.0822
Monoisotopic Mass	589.0822
Heavy Atoms	38
Complexity	924.0

Chemical Identifiers

CAS Number	28447-34-9
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]([C@H](O4)CO)O)O)O)O)O)N
InChIKey	WFPZSXYXPSUOPY-RYRBFGMPSA-N