(2S,3S,4R,5S)-2-[6-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]disulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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![(2S,3S,4R,5S)-2-[6-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]disulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b9e7f5efea944cc7bb7d9b030881a705.png "(2S,3S,4R,5S)-2-[6-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]disulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol")
(2S,3S,4R,5S)-2-[6-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]disulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
structure -
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CAS No:
23521-02-0
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Formula:
C20H22N8O8S2
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Chemical Name:
(2S,3S,4R,5S)-2-[6-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]disulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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Synonyms:
23521-02-0;NSC113617;NSC 113617;(2S,3S,4R,5S)-2-[6-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]disulfanyl]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
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CAS No:
(2S,3S,4R,5S)-2-[6-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]disulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Basic Attributes
566.6 g/mol
566.10020204 g/mol
Computed Properties
Molecular Weight:566.6
XLogP3:-1.4
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:7
Exact Mass:566.10020204
Monoisotopic Mass:566.10020204
Topological Polar Surface Area:278
Heavy Atom Count:38
Complexity:767
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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