(2S)-2-amino-4-[[(2S,3S,4R)-3,4-dihydroxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]methylsulfanyl]butanoic acid
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![(2S)-2-amino-4-[[(2S,3S,4R)-3,4-dihydroxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]methylsulfanyl]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b8296d67c8e74920b5f67e7b882ca259.png "(2S)-2-amino-4-[[(2S,3S,4R)-3,4-dihydroxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]methylsulfanyl]butanoic acid")
(2S)-2-amino-4-[[(2S,3S,4R)-3,4-dihydroxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]methylsulfanyl]butanoic acid
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CAS No:
53228-06-1
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Formula:
C15H22N6O5S
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Chemical Name:
(2S)-2-amino-4-[[(2S,3S,4R)-3,4-dihydroxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]methylsulfanyl]butanoic acid
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Synonyms:
S-N(6)-methyladenosylhomocysteine;S-N(6)-Methyladenosylhomocysteine;(S)-5'-S-(3-Amino-3-carboxypropyl)-N-methyl-5'-thioadenosine;53228-06-1;Adenosine, 5'-S-(3-amino-3-carboxypropyl)-N-methyl-5'-thio-, (S)-
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CAS No:
(2S)-2-amino-4-[[(2S,3S,4R)-3,4-dihydroxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]methylsulfanyl]butanoic acid Basic Attributes
398.4 g/mol
398.13723900 g/mol
Computed Properties
Molecular Weight:398.4
XLogP3:-2.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:8
Exact Mass:398.13723900
Monoisotopic Mass:398.13723900
Topological Polar Surface Area:194
Heavy Atom Count:27
Complexity:519
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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