[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methyl]phosphonamidic acid
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![[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methyl]phosphonamidic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2d1a001f3aa6455197aacd4ea8f2e722.png "[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methyl]phosphonamidic acid")
[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methyl]phosphonamidic acid
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CAS No:
74536-50-8
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Formula:
C20H30N7O13P3
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Chemical Name:
[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methyl]phosphonamidic acid
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Synonyms:
4-(N-2-hydroxyethyl-N-methylamino)benzyl-gamma-amide ATP;adenosine triphosphate gamma-(4-(N-(2-hydroxyethyl)-N-methylamino)benzylamide);ATP gamma-(4-(N-(2-hydroxyethyl)-N-methylamino)benzylamide);N-2-HMBATP;74536-50-8;N-2-Hmbatp;ATP gamma-(4-(N-(2-Hydroxyethyl)-N-methylamino)benzylamide);4-(N-2-Hydroxyethyl-N-methylamino)benzyl-gamma-amide ATP;DTXSID00996055;Adenosine triphosphate gamma-(4-(N-(2-hydroxyethyl)-N-methylamino)benzylamide);9-[5-O-(Hydroxy{[hydroxy({hydroxy[({4-[(2-hydroxyethyl)(methyl)amino]phenyl}methyl)amino]phosphoryl}oxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-9H-purin-6-amine;Adenosine 5'-(trihydrogen diphosphate), monoanhydride with ((4-((2-hydroxyethyl)methylamino)phenyl)methyl)phosphoramidic acid
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CAS No:
[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methyl]phosphonamidic acid Basic Attributes
669.4 g/mol
669.11144503 g/mol
Computed Properties
Molecular Weight:669.4
XLogP3:-4.5
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:19
Rotatable Bond Count:14
Exact Mass:669.11144503
Monoisotopic Mass:669.11144503
Topological Polar Surface Area:294
Heavy Atom Count:43
Complexity:1080
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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