(2R,3R,4S,5R)-2-[6-amino-2-[2-(4-amino-3-iodophenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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![(2R,3R,4S,5R)-2-[6-amino-2-[2-(4-amino-3-iodophenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2fd934c9277a4991a88ad834c99dfc53.png "(2R,3R,4S,5R)-2-[6-amino-2-[2-(4-amino-3-iodophenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol")
(2R,3R,4S,5R)-2-[6-amino-2-[2-(4-amino-3-iodophenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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CAS No:
161536-31-8
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Formula:
C18H22IN7O4
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Chemical Name:
(2R,3R,4S,5R)-2-[6-amino-2-[2-(4-amino-3-iodophenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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Synonyms:
2-(2-(4-amino-3-(125I)iodophenyl)ethylamino)adenosine;2-(2-(4-amino-3-iodophenyl)ethylamino)adenosine;2-(2-(4-amino-3-iodophenyl)ethylamino)adenosine, (125I)-labeled;I-APE;161536-31-8;2-(2-(4-Amino-3-iodophenyl)ethylamino)adenosine;(2R,3R,4S,5R)-2-[6-amino-2-[2-(4-amino-3-iodophenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;2-(2-(4-Amino-3-(125I)iodophenyl)ethylamino)adenosine;DTXSID70936544;PDSP1_000307;PDSP2_000305;ZINC100363233;Adenosine, 2-[[2-(4-amino-3-iodophenyl)ethyl]amino]-;2-{[2-(4-Amino-3-iodophenyl)ethyl]imino}-9-pentofuranosyl-2,9-dihydro-1H-purin-6-amine;(2R,3R,4S,5R)-2-(6-Amino-2-((4-amino-3-iodophenethyl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
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CAS No:
(2R,3R,4S,5R)-2-[6-amino-2-[2-(4-amino-3-iodophenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Basic Attributes
527.3 g/mol
527.07780 g/mol
Computed Properties
Molecular Weight:527.3
XLogP3:1.2
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:6
Exact Mass:527.07780
Monoisotopic Mass:527.07780
Topological Polar Surface Area:178
Heavy Atom Count:30
Complexity:581
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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