[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] butyl hydrogen phosphate
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![[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] butyl hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/239c8d454779412ebe347555ac39a0fb.png "[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] butyl hydrogen phosphate")
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] butyl hydrogen phosphate
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CAS No:
52278-63-4
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Formula:
C14H22N5O7P
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Chemical Name:
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] butyl hydrogen phosphate
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Synonyms:
3'-(1-butylphosphoryl)adenosine;B-factor;3'-(1-Butylphosphoryl)adenosine;B-Factor;3'-Adenylic acid, monobutyl ester;52278-63-4;SCHEMBL2239470;DTXSID40200305
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CAS No:
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] butyl hydrogen phosphate Basic Attributes
403.33 g/mol
403.12568506 g/mol
DTXSID40200305
Computed Properties
Molecular Weight:403.33
XLogP3:-0.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:8
Exact Mass:403.12568506
Monoisotopic Mass:403.12568506
Topological Polar Surface Area:175
Heavy Atom Count:27
Complexity:546
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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