[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(2,6-diaminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
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![[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(2,6-diaminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4be10f967508491b911173f8b85fcfd2.png "[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(2,6-diaminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate")
[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(2,6-diaminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
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CAS No:
104576-80-9
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Formula:
C19H25BrN8O13P2
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Chemical Name:
[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(2,6-diaminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
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Synonyms:
PADA-5-BDU;poly(2-aminodeoxyadenylate-5-bromodeoxyuridylate);Poly(2-aminodeoxyadenylate-5-bromodeoxyuridylate);104576-80-9;Pada-5-bdu;DTXSID50146588
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CAS No:
[(2R,3S,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,5R)-5-(2,6-diaminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate Basic Attributes
715.3 g/mol
714.01997 g/mol
DTXSID50146588
Computed Properties
Molecular Weight:715.3
XLogP3:-4
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:10
Exact Mass:714.01997
Monoisotopic Mass:714.01997
Topological Polar Surface Area:306
Heavy Atom Count:43
Complexity:1220
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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