(2R,3R,4S,5R)-5-[[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-aminopyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate

Modify Date: 2025-09-23 18:19:31

(2R,3R,4S,5R)-5-[[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-aminopyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate Structure
(2R,3R,4S,5R)-5-[[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-aminopyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate structure
Common Name (2R,3R,4S,5R)-5-[[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-aminopyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate
CAS Number 54758-28-0 Molecular Weight 715.39500
Density N/A Boiling Point N/A
Molecular Formula C20H28N7O16P3 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name (2R,3R,4S,5R)-5-[[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-2-(3-aminopyridin-1-ium-1-yl)-4-hydroxyoxolan-3-olate
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C20H28N7O16P3
Molecular Weight 715.39500
Exact Mass 715.08100
PSA 379.98000
InChIKey BAXCQRTXEORKEF-HISDBWNOSA-N
SMILES Nc1ccc[n+](C2OC(COP(=O)(O)OC3C(O)C(COP(=O)(O)OP(=O)(O)O)OC3n3cnc4c(N)ncnc43)C(O)C2[O-])c1

 Synonyms

3-Aminopyridine adenine dinucleotide phosphate
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