3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxy-2-hydroxypropanoic acid
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![3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxy-2-hydroxypropanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6c1e89a2cac949509bc23838d73b160c.png "3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxy-2-hydroxypropanoic acid")
3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxy-2-hydroxypropanoic acid
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CAS No:
101968-93-8
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Formula:
C13H21N5O19P4
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Chemical Name:
3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxy-2-hydroxypropanoic acid
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Synonyms:
3-phospho-(glyceroyl-gamma-triphosphoroyl-5'-adenosine-3'-3-phospho)-4-glyceroyl-gamma-triphosphoroyl-5'-adenosine;oligophosphoglycerol-ATP;OPG-ATP;101968-93-8;Oligophosphoglycerol-ATP;Opg-ATP;DTXSID80906910;3-Phospho-(glyceroyl-gamma-triphosphoroyl-5'-adenosine-3'-3-phospho)-4-glyceroyl-gamma-triphosphoroyl-5'-adenosine;9-{3-O-[(2-Carboxy-2-hydroxyethoxy)(hydroxy)phosphoryl]-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl}-9H-purin-6-amine;Adenosine 5'-(tetrahydrogen triphosphate), 3'-(2-carboxy-2-hydroxyethyl hydrogen phosphate), pentamer
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CAS No:
3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxy-2-hydroxypropanoic acid Basic Attributes
675.22 g/mol
674.97812145 g/mol
Drug Information
3-phospho-(glyceroyl-gamma-triphosphoroyl-5'-adenosine-3'-3-phospho)-4-glyceroyl-gamma-triphosphoroyl-5'-adenosine
Computed Properties
Molecular Weight:675.22
XLogP3:-7.3
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:23
Rotatable Bond Count:14
Exact Mass:674.97812145
Monoisotopic Mass:674.97812145
Topological Polar Surface Area:372
Heavy Atom Count:41
Complexity:1140
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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