(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[hydroxy-(4-nitrophenoxy)phosphinothioyl]oxymethyl]oxolane-3,4-diol
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![(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[hydroxy-(4-nitrophenoxy)phosphinothioyl]oxymethyl]oxolane-3,4-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5d72e86e44114a968fd13e7b8632740e.png "(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[hydroxy-(4-nitrophenoxy)phosphinothioyl]oxymethyl]oxolane-3,4-diol")
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[hydroxy-(4-nitrophenoxy)phosphinothioyl]oxymethyl]oxolane-3,4-diol
structure -
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CAS No:
71738-02-8
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Formula:
C16H17N6O8PS
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Chemical Name:
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[hydroxy-(4-nitrophenoxy)phosphinothioyl]oxymethyl]oxolane-3,4-diol
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Synonyms:
adenosine 5'-O-phosphorothioate O-4-nitrophenyl ester;71738-02-8;Adenosine 5'-O-phosphorothioate O-4-nitrophenyl ester;DTXSID30992368;Adenosine, 5'-(O-(4-nitrophenyl) hydrogen phosphorothioate), (S)-;9-{5-O-[Hydroxy(4-nitrophenoxy)phosphorothioyl]pentofuranosyl}-9H-purin-6-amine
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CAS No:
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[hydroxy-(4-nitrophenoxy)phosphinothioyl]oxymethyl]oxolane-3,4-diol Basic Attributes
484.4 g/mol
484.05661969 g/mol
Computed Properties
Molecular Weight:484.4
XLogP3:0.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:6
Exact Mass:484.05661969
Monoisotopic Mass:484.05661969
Topological Polar Surface Area:236
Heavy Atom Count:32
Complexity:727
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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