[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phosphonooxyphosphoryl] 5-(dimethylamino)naphthalene-1-carboxylate
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![[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phosphonooxyphosphoryl] 5-(dimethylamino)naphthalene-1-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4af056873cd846978202cd4b36c12be5.png "[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phosphonooxyphosphoryl] 5-(dimethylamino)naphthalene-1-carboxylate")
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phosphonooxyphosphoryl] 5-(dimethylamino)naphthalene-1-carboxylate
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CAS No:
75352-13-5
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Formula:
C23H26N6O11P2
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Chemical Name:
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phosphonooxyphosphoryl] 5-(dimethylamino)naphthalene-1-carboxylate
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Synonyms:
alpha-P-(5-dimethylaminonaphthoyl-1)-ADP;PDANADP;Pdanadp;75352-13-5;alpha-P-(5-Dimethylaminonaphthoyl-1)-ADP;DTXSID90996807;9-{5-O-[{[5-(Dimethylamino)naphthalene-1-carbonyl]oxy}(phosphonooxy)phosphoryl]pentofuranosyl}-9H-purin-6-amine;Adenosine 5'-(trihydrogen diphosphate), P-anhydride with 5-(dimethylamino)-1-naphthalenecarboxylic acid
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CAS No:
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phosphonooxyphosphoryl] 5-(dimethylamino)naphthalene-1-carboxylate Basic Attributes
624.4 g/mol
624.11347966 g/mol
Computed Properties
Molecular Weight:624.4
XLogP3:-1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:10
Exact Mass:624.11347966
Monoisotopic Mass:624.11347966
Topological Polar Surface Area:242
Heavy Atom Count:42
Complexity:1070
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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