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Home > Encyclopedia > [(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-dimethylsulfanium

[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-dimethylsulfanium

[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-dimethylsulfanium structure

[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-dimethylsulfanium 

structure
  • CAS No:

    15648-76-7

  • Formula:

    C12H18N5O3S+

  • Chemical Name:

    [(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-dimethylsulfanium

  • Synonyms:

    S-methyl-5'-methylthioadenosine;CHEMBL540135;5'-deoxy-5'-(dimethyl-lambda~4~-sulfanyl)adenosine;M2T;15648-76-7;CHEMBL23975;SCHEMBL951310;(5'-Adenosyl)dimethylsulfonium;AdoMet substrate analogue, 25d;BDBM28455;CHEBI:139385;BDBM50366942;[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-dimethylsulfanium;5'-(dimethylsulfonio)-5'-deoxyadenosine;Adenosine, 5'-deoxy-5'-(dimethylsulfonio)-;{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}dimethylsulfanium chloride

Description

5'-(dimethylsulfonio)-5'-deoxyadenosine is a nucleobase-containing molecular entity.

[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-dimethylsulfanium Basic Attributes

312.37 g/mol

312.11303563 g/mol

Characteristics

120 Ų

Drug Information

S-methyl-5'-methylthioadenosine

Computed Properties

Molecular Weight:312.37
XLogP3:-0.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:312.11303563
Monoisotopic Mass:312.11303563
Topological Polar Surface Area:120
Heavy Atom Count:21
Formal Charge:1
Complexity:377
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-dimethylsulfanium

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