[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy-hydroxyphosphoryl] hydrogen phosphate
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![[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy-hydroxyphosphoryl] hydrogen phosphate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9697898993b142dfb8f8a4cd583a97e5.png "[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy-hydroxyphosphoryl] hydrogen phosphate")
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy-hydroxyphosphoryl] hydrogen phosphate
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CAS No:
101418-63-7
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Formula:
C18H23N6O15P3
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Chemical Name:
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy-hydroxyphosphoryl] hydrogen phosphate
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Synonyms:
Adenosine triphosphopyridoxal; AP3-PL;
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CAS No:
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy-hydroxyphosphoryl] hydrogen phosphate Basic Attributes
656.32800
656.04342504 g/mol
Computed Properties
Molecular Weight:656.3
XLogP3:-4.7
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:20
Rotatable Bond Count:12
Exact Mass:656.04342504
Monoisotopic Mass:656.04342504
Topological Polar Surface Area:318
Heavy Atom Count:42
Complexity:1110
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2,3-dihydroxypropyl [(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl] hydrogen phosphate Formula
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[[(2R,3S,4R,5R)-5-(6-amino-8-azidopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate Formula
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[[(2R,3S,4R,5R)-5-(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Structure
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[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl phosphono hydrogen phosphate Structure
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What is [hydroxy-[[(2R,3S,5S)-3-hydroxy-5-[(5S)-5-methyl-2,4-dioxo-1,3-diazinan-1-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
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What is [(2R,3S,4R,5R)-5-[6-amino-8-(4-bromo-2,3-dioxobutyl)sulfanylpurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
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