[[(2R,3S,5R)-5-[6-amino-2-(4-butylanilino)purin-9-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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![[[(2R,3S,5R)-5-[6-amino-2-(4-butylanilino)purin-9-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ca3ec3e91b9a4427905e11ed023fbf29.png "[[(2R,3S,5R)-5-[6-amino-2-(4-butylanilino)purin-9-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate")
[[(2R,3S,5R)-5-[6-amino-2-(4-butylanilino)purin-9-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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CAS No:
99304-84-4
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Formula:
C20H29N6O12P3
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Chemical Name:
[[(2R,3S,5R)-5-[6-amino-2-(4-butylanilino)purin-9-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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Synonyms:
(2-para-n-butylanilino)deoxy ATP;4-n-butylanilino dATP;BuAdATP;p-n-butylanilino dATP;Buadatp;99304-84-4;p-n-Butylanilino datp;4-n-Butylanilino datp;DTXSID20912757;(2-para-n-butylanilino)deoxy ATP;[[(2R,3S,5R)-5-[6-amino-2-(4-butylanilino)purin-9-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;2-(p-n-butylanilino)-2'-deoxyadenosine 5'-triphosphate;Adenosine 5'-(tetrahydrogen triphosphate), 2-((4-butylphenyl)amino)-2'-deoxy-;N~2~-(4-Butylphenyl)-9-[2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-9H-purine-2,6-diamine
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CAS No:
[[(2R,3S,5R)-5-[6-amino-2-(4-butylanilino)purin-9-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Basic Attributes
638.4 g/mol
638.10563137 g/mol
Drug Information
Compounds that inhibit cell production of DNA or RNA. (See all compounds classified as Nucleic Acid Synthesis Inhibitors.)
(2-para-n-butylanilino)deoxy ATP
Computed Properties
Molecular Weight:638.4
XLogP3:-0.3
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:13
Exact Mass:638.10563137
Monoisotopic Mass:638.10563137
Topological Polar Surface Area:271
Heavy Atom Count:41
Complexity:1020
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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