[[(2R,3S,5S)-5-(6-amino-2-bromopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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![[[(2R,3S,5S)-5-(6-amino-2-bromopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0609c3a5c36b40cda87e52d6d30fe2c4.png "[[(2R,3S,5S)-5-(6-amino-2-bromopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate")
[[(2R,3S,5S)-5-(6-amino-2-bromopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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CAS No:
106867-29-2
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Formula:
C10H15BrN5O12P3
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Chemical Name:
[[(2R,3S,5S)-5-(6-amino-2-bromopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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Synonyms:
2-bromo-2'-deoxyadenosine triphosphate;2-bromo-dATP;2-Bromo-datp;106867-29-2;DTXSID00910155;2-Bromo-2'-deoxyadenosine triphosphate;Adenosine, 5'-(tetrahydrogen triphosphate)- 2-bromo-2'-deoxy-;2-Bromo-9-[2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-9H-purin-6-amine
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CAS No:
[[(2R,3S,5S)-5-(6-amino-2-bromopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Basic Attributes
570.08 g/mol
568.91134 g/mol
Computed Properties
Molecular Weight:570.08
XLogP3:-3
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:8
Exact Mass:568.91134
Monoisotopic Mass:568.91134
Topological Polar Surface Area:259
Heavy Atom Count:31
Complexity:805
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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