2-[[4-aminobut-2-enyl(methyl)amino]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol
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![2-[[4-aminobut-2-enyl(methyl)amino]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/42cf33512fff47dabcd875493a2513be.png "2-[[4-aminobut-2-enyl(methyl)amino]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol")
2-[[4-aminobut-2-enyl(methyl)amino]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol
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CAS No:
123642-27-3
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Formula:
C15H23N7O3
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Chemical Name:
2-[[4-aminobut-2-enyl(methyl)amino]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol
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Synonyms:
5'-(((Z)-4-amino-2-butenyl)methylamino)-5'-deoxyadenosine;5'-((-4-amino-2-butenyl)methylamino)-5'-deoxyadenosine;AbeAdo;MDL 73811;MDL-73811;MDL 73811;123642-27-3;ACMC-20mqov;Adenosine,5'-[[(2Z)-4-amino-2-buten-1-yl]methylamino]-5'-deoxy-
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CAS No:
2-[[4-aminobut-2-enyl(methyl)amino]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol Basic Attributes
349.39 g/mol
349.18623762 g/mol
Drug Information
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)
5'-(((Z)-4-amino-2-butenyl)methylamino)-5'-deoxyadenosine
Computed Properties
Molecular Weight:349.39
XLogP3:-1.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:349.18623762
Monoisotopic Mass:349.18623762
Topological Polar Surface Area:149
Heavy Atom Count:25
Complexity:468
Undefined Atom Stereocenter Count:4
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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