S-N(6)-Methyladenosylhomocysteine structure

S-N(6)-Methyladenosylhomocysteine

(2S)-2-amino-4-[[(2S,3S,4R)-3,4-dihydroxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]methylsulfanyl]butanoic acid

Also Known As: S-N(6)-Methyladenosylhomocysteine|S-N6-Methyladenosylhomocysteine|KST-1A5622|(S)-5'-S-(3-Amino-3-carboxypropyl)-N-methyl-5'-thioadenosine|(2s)-2-amino-4-[({(2s,3s,4r)-3,4-dihydroxy-5-[6-(methylamino)-9h-purin-9-yl]tetrahydrofuran-2-yl}methyl)sulfanyl]butanoic acid(non-preferred name)|(2S)-2-amino-4-[[(2S,3S,4R)-3,4-dihydroxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]methylsulfanyl]butanoic acid|Adenosine, 5'-S-(3-amino-3-carboxypropyl)-N-methyl-5'-thio-, (S)-

CAS: 5410-40-2
Molecular Formula C15H22N6O5S
Molecular Weight 398.13724 g/mol
LogP -2.8
Topological Polar Surface Area 194.0 Ų
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 11
Rotatable Bonds 8
Exact Mass 398.13724
Monoisotopic Mass 398.13724
Heavy Atoms 27
Complexity 519.0

Chemical Identifiers

CAS Number 5410-40-2
SMILES CNC1=C2C(=NC=N1)N(C=N2)C3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O
InChIKey GEJILRRXJVSBCM-WFEYPKDDSA-N

Product Overview

S-N(6)-Methyladenosylhomocysteine (CAS 5410-40-2), with molecular formula C15H22N6O5S and molecular weight 398.13724 g/mol. IUPAC: (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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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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