[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2S)-2-amino-3-methylbutanoate
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![[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2S)-2-amino-3-methylbutanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/46e4371d38714209a9250c460fd5c272.png "[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2S)-2-amino-3-methylbutanoate")
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2S)-2-amino-3-methylbutanoate
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CAS No:
52435-65-1
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Formula:
C15H23N6O8P
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Chemical Name:
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2S)-2-amino-3-methylbutanoate
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Synonyms:
valyl adenylate;Valyl adenylate;52435-65-1;(S)-2-amino-3-methylbutanoic (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride;L-Valine 5'-adenylyl ester;DTXSID70966861;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2S)-2-amino-3-methylbutanoate;L-Valine, monoanhydride with 5'-adenylic acid;9-(5-O-{[(2-Amino-3-methylbutanoyl)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] (2S)-2-amino-3-methylbutanoate Basic Attributes
446.35 g/mol
446.13149871 g/mol
Computed Properties
Molecular Weight:446.35
XLogP3:-4.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:8
Exact Mass:446.13149871
Monoisotopic Mass:446.13149871
Topological Polar Surface Area:218
Heavy Atom Count:30
Complexity:673
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 2,4,6-trimethylbenzoate Formula
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dodecyl (2S)-2-amino-3-methylbutanoate Formula
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[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2-nitrophenyl)methyl hydrogen phosphate Structure
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What is [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5S)-5-(6-carbamoylpyridin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
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