[2-(4-amino-6-bromo-5-carbamoylpyrrolo[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-carbamoylpyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/70bedcf065684e32928ba383fdb66e1e.png "[2-(4-amino-6-bromo-5-carbamoylpyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate")
[2-(4-amino-6-bromo-5-carbamoylpyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate
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CAS No:
83379-26-4
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Formula:
C19H20BrN5O7S
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Chemical Name:
[2-(4-amino-6-bromo-5-carbamoylpyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate
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Synonyms:
6-bromo-2'-O-tosylsangivamycin;
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CAS No:
[2-(4-amino-6-bromo-5-carbamoylpyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate Basic Attributes
542.36000
541.02668 g/mol
285142
Computed Properties
Molecular Weight:542.4
XLogP3:0.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:6
Exact Mass:541.02668
Monoisotopic Mass:541.02668
Topological Polar Surface Area:201
Heavy Atom Count:33
Complexity:824
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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