(2R,3R,4S,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol
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![(2R,3R,4S,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/a4409a5ab61645209ce3e6735a4114dd.png "(2R,3R,4S,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol")
(2R,3R,4S,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol
structure -
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CAS No:
67377-76-8
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Formula:
C15H22N4O3S
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Chemical Name:
(2R,3R,4S,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol
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Synonyms:
3-deaza-SIBA;5'-deoxy-5'-(isobutylthio)-3-deazaadenosine;S-isobutyryl-3-deaza-adenosine;S-isobutyryl-3-deazaadenosine;3-Deaza-siba;S-isobutyryl-3-deazaadenosine;S-Isobutyryl-3-deaza-adenosine;NSC 313172;(2R,3R,4S,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol;5'-Deoxy-5'-(isobutylthio)-3-deazaadenosine;1H-Imidazo(4,5-c)pyridin-4-amine, 1-(5-S-(2-methylpropyl)-5-thio-beta-D-ribofuranosyl)-
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CAS No:
(2R,3R,4S,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol Basic Attributes
338.4 g/mol
338.14126175 g/mol
313172
Computed Properties
Molecular Weight:338.4
XLogP3:0.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:338.14126175
Monoisotopic Mass:338.14126175
Topological Polar Surface Area:132
Heavy Atom Count:23
Complexity:403
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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