(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[hydroxy(methoxy)phosphinothioyl]oxymethyl]oxolane-3,4-diol
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![(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[hydroxy(methoxy)phosphinothioyl]oxymethyl]oxolane-3,4-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5767da8b57594eb19b5a8a7008c95235.png "(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[hydroxy(methoxy)phosphinothioyl]oxymethyl]oxolane-3,4-diol")
(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[hydroxy(methoxy)phosphinothioyl]oxymethyl]oxolane-3,4-diol
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CAS No:
107133-74-4
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Formula:
C11H16N5O6PS
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Chemical Name:
(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[hydroxy(methoxy)phosphinothioyl]oxymethyl]oxolane-3,4-diol
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Synonyms:
adenosine 5'-O-phosphorothioate O-methyl ester;adenosine 5'-O-phosphorothioate O-methyl ester, (S)-isomer;APTME;107133-74-4;APTME;Adenosine 5'-O-phosphorothioate O-methyl ester;DTXSID80910239;(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[hydroxy(methoxy)phosphinothioyl]oxymethyl]oxolane-3,4-diol;9-{5-O-[Hydroxy(methoxy)phosphorothioyl]pentofuranosyl}-9H-purin-6-amine
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CAS No:
(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[hydroxy(methoxy)phosphinothioyl]oxymethyl]oxolane-3,4-diol Basic Attributes
377.32 g/mol
377.05589142 g/mol
Computed Properties
Molecular Weight:377.32
XLogP3:-1.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:5
Exact Mass:377.05589142
Monoisotopic Mass:377.05589142
Topological Polar Surface Area:190
Heavy Atom Count:24
Complexity:506
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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