(2R,3R,4S,5R)-2-[6-[(2-hydroxy-3-iodo-5-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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![(2R,3R,4S,5R)-2-[6-[(2-hydroxy-3-iodo-5-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a81376f5c83641a5b5640c9d0cf7e8f7.png "(2R,3R,4S,5R)-2-[6-[(2-hydroxy-3-iodo-5-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol")
(2R,3R,4S,5R)-2-[6-[(2-hydroxy-3-iodo-5-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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CAS No:
109982-34-5
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Formula:
C17H16IN5O7S
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Chemical Name:
(2R,3R,4S,5R)-2-[6-[(2-hydroxy-3-iodo-5-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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Synonyms:
6-((2-hydroxy-3-iodo-5-nitrobenzyl)thio)-9-ribofuranosylpurine;IH-NBMPR;iodohydroxynitrobenzylthioinosine;109982-34-5;IH-Nbmpr;Iodohydroxynitrobenzylthioinosine;DTXSID80911423;6-((2-Hydroxy-3-iodo-5-nitrobenzyl)thio)-9-ribofuranosylpurine;2-Iodo-4-nitro-6-(((9-beta-D-ribofuranosyl-9H-purin-6-yl)thio)methyl)phenol;(2R,3R,4S,5R)-2-[6-[(2-hydroxy-3-iodo-5-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;6-{[(2-Hydroxy-3-iodo-5-nitrophenyl)methyl]sulfanyl}-9-pentofuranosyl-9H-purine;Phenol, 2-iodo-4-nitro-6-(((9-beta-D-ribofuranosyl-9H-purin-6-yl)thio)methyl)-
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CAS No:
(2R,3R,4S,5R)-2-[6-[(2-hydroxy-3-iodo-5-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Basic Attributes
561.3 g/mol
560.98152 g/mol
Computed Properties
Molecular Weight:561.3
XLogP3:1.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:5
Exact Mass:560.98152
Monoisotopic Mass:560.98152
Topological Polar Surface Area:205
Heavy Atom Count:31
Complexity:651
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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