(2R,3R,4S,5R)-2-[6-[[3-(4-chlorophenyl)-2-bicyclo[2.2.2]octanyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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![(2R,3R,4S,5R)-2-[6-[[3-(4-chlorophenyl)-2-bicyclo[2.2.2]octanyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e0a0cc0200b740f6a1f05f59ef447754.png "(2R,3R,4S,5R)-2-[6-[[3-(4-chlorophenyl)-2-bicyclo[2.2.2]octanyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol")
(2R,3R,4S,5R)-2-[6-[[3-(4-chlorophenyl)-2-bicyclo[2.2.2]octanyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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CAS No:
74717-74-1
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Formula:
C24H28ClN5O4
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Chemical Name:
(2R,3R,4S,5R)-2-[6-[[3-(4-chlorophenyl)-2-bicyclo[2.2.2]octanyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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Synonyms:
EMD 28422;EMD-28422;N(6)-(2-(4-chlorophenyl)bicyclo(2.2.2.)-octyl)(3)-adenosine;Emd-28422;74717-74-1;Emd 28422;DTXSID50996247;N(6)-(2-(4-Chlorophenyl)bicyclo(2.2.2.)-octyl)(3)-adenosine;PDSP1_001027;PDSP2_001011;(2R,3R,4S,5R)-2-[6-[[2-(4-chlorophenyl)-3-bicyclo[2.2.2]octanyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;Adenosine, N-(3-(4-chlorophenyl)bicyclo(2.2.2)oct-2-yl)-;N6 -[2-(4-chlorophenyl)-bicyclo[2,2,2]oct-3-yl]-adenosine;N-[3-(4-Chlorophenyl)bicyclo[2.2.2]octan-2-yl]-9-pentofuranosyl-9H-purin-6-amine
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CAS No:
(2R,3R,4S,5R)-2-[6-[[3-(4-chlorophenyl)-2-bicyclo[2.2.2]octanyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Basic Attributes
486.0 g/mol
485.1829821 g/mol
Computed Properties
Molecular Weight:486.0
XLogP3:3.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:485.1829821
Monoisotopic Mass:485.1829821
Topological Polar Surface Area:126
Heavy Atom Count:34
Complexity:707
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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