[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[(5-bromo-4-chloro-1H-indol-3-yl)oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
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![[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[(5-bromo-4-chloro-1H-indol-3-yl)oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2c46831dc5514f45a3f7339accd27847.png "[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[(5-bromo-4-chloro-1H-indol-3-yl)oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate")
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[(5-bromo-4-chloro-1H-indol-3-yl)oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
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CAS No:
148778-60-3
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Formula:
C18H20BrClN6O16P4
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Chemical Name:
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[(5-bromo-4-chloro-1H-indol-3-yl)oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
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Synonyms:
5-bromo-4-chloro-3-indolyltetraphospho-5'-adenosine;BCIp4A;Bcip4A;148778-60-3;5-Bromo-4-chloro-3-indolyltetraphospho-5'-adenosine;5-Bromo-4-chloro-3-indolyl tetraphospho-5'-adenosine;DTXSID00933480;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[(5-bromo-4-chloro-1H-indol-3-yl)oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate;9-{5-O-[{[{[({[(5-Bromo-4-chloro-1H-indol-3-yl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]pentofuranosyl}-9H-purin-6-amine
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CAS No:
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[(5-bromo-4-chloro-1H-indol-3-yl)oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate Basic Attributes
815.6 g/mol
813.87582 g/mol
Computed Properties
Molecular Weight:815.6
XLogP3:-3
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:20
Rotatable Bond Count:12
Exact Mass:813.87582
Monoisotopic Mass:813.87582
Topological Polar Surface Area:330
Heavy Atom Count:46
Complexity:1320
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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