[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2-nitrophenyl)methyl hydrogen phosphate
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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](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/e76047d8933a489dae9e55e91a40f250.png "[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2-nitrophenyl)methyl hydrogen phosphate")
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2-nitrophenyl)methyl hydrogen phosphate
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CAS No:
67030-28-8
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Formula:
C17H20N6O12P2
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Chemical Name:
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2-nitrophenyl)methyl hydrogen phosphate
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Synonyms:
P1-adenosine 5'-P2-2-nitrobenzyl pyrophosphate;P1-adenosine 5'-P2-o-nitrobenzyl pyrophosphate;67030-28-8;DTXSID50985914;P1-Adenosine 5'-P2-2-nitrobenzyl pyrophosphate;P1-Adenosine 5'-P2-o-nitrobenzyl pyrophosphate;Adenosine 5'-(trihydrogen diphosphate), P'-((2-nitrophenyl)methyl) ester;9-{5-O-[Hydroxy({hydroxy[(2-nitrophenyl)methoxy]phosphoryl}oxy)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] (2-nitrophenyl)methyl hydrogen phosphate Basic Attributes
562.3 g/mol
562.06144409 g/mol
Computed Properties
Molecular Weight:562.3
XLogP3:-2.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:9
Exact Mass:562.06144409
Monoisotopic Mass:562.06144409
Topological Polar Surface Area:267
Heavy Atom Count:37
Complexity:915
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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