[[(2R,3S,4R,5R)-5-(2-amino-1-bromo-6-oxopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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![[[(2R,3S,4R,5R)-5-(2-amino-1-bromo-6-oxopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/37bc2a6c597d48c5a56564f8438d76a8.png "[[(2R,3S,4R,5R)-5-(2-amino-1-bromo-6-oxopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate")
[[(2R,3S,4R,5R)-5-(2-amino-1-bromo-6-oxopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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CAS No:
23197-98-0
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Formula:
C10H15BrN5O14P3
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Chemical Name:
[[(2R,3S,4R,5R)-5-(2-amino-1-bromo-6-oxopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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Synonyms:
8-Bromo-GTP; 8-bromoguanosine triphosphate; 8-bromoguanosine 5'-triphosphate;
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CAS No:
[[(2R,3S,4R,5R)-5-(2-amino-1-bromo-6-oxopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Basic Attributes
602.07600
600.90117
DTXSID10177777
Computed Properties
Molecular Weight:602.08
XLogP3:-4.8
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:8
Exact Mass:600.90117
Monoisotopic Mass:600.90117
Topological Polar Surface Area:286
Heavy Atom Count:33
Complexity:964
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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