[2-(4-amino-6-bromo-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate
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![[2-(4-amino-6-bromo-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d1b1e4376de94f9a9f00bade3261da02.png "[2-(4-amino-6-bromo-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate")
[2-(4-amino-6-bromo-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate
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CAS No:
83379-25-3
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Formula:
C19H18BrN5O6S
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Chemical Name:
[2-(4-amino-6-bromo-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate
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Synonyms:
83379-25-3;NSC287084;DTXSID60314670;NSC-287084;[2-(4-amino-6-bromo-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate
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CAS No:
[2-(4-amino-6-bromo-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate Basic Attributes
524.3 g/mol
523.01612 g/mol
287084
DTXSID60314670
Computed Properties
Molecular Weight:524.3
XLogP3:1.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:5
Exact Mass:523.01612
Monoisotopic Mass:523.01612
Topological Polar Surface Area:182
Heavy Atom Count:32
Complexity:828
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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