(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(prop-2-ynylsulfanylmethyl)oxolane-3,4-diol
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(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(prop-2-ynylsulfanylmethyl)oxolane-3,4-diol
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CAS No:
244126-08-7
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Formula:
C13H15N5O3S
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Chemical Name:
(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(prop-2-ynylsulfanylmethyl)oxolane-3,4-diol
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Synonyms:
5'-S-propargylthio adenosine;CHEMBL404759;SCHEMBL2828323;5'-(Propargylthio)-5'-deoxyadenosine;adenosine, 5'-S-1-propynyl-5'-thio-;(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(prop-2-ynylsulfanylmethyl)tetrahydrofuran-3,4-diol;244126-08-7
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CAS No:
(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(prop-2-ynylsulfanylmethyl)oxolane-3,4-diol Basic Attributes
321.36 g/mol
321.08956053 g/mol
Computed Properties
Molecular Weight:321.36
XLogP3:-0.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:321.08956053
Monoisotopic Mass:321.08956053
Topological Polar Surface Area:145
Heavy Atom Count:22
Complexity:447
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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