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

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

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

CAS No:
16720-69-7
Formula:
C16H24N6O5S
Chemical Name:
2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonio]-2-methylbutanoate
Synonyms:
S-adenosyl-2-methylmethionine;S-Adenosyl-2-methylmethionine;16720-69-7;Adenosine, 5'-((3-amino-3-carboxybutyl)methylsulfonio)-5'-deoxy-, inner salt

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

Molecular Weight：

412.5 g/mol

Exact Mass：

412.15288906 g/mol

Characteristics

PSA：

187 Å²

Drug Information

MeSH Entry Terms：

S-adenosyl-2-methylmethionine

Computed Properties

Molecular Weight:412.5
XLogP3:-2.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:6
Exact Mass:412.15288906
Monoisotopic Mass:412.15288906
Topological Polar Surface Area:187
Heavy Atom Count:28
Complexity:570
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Drug Information
Computed Properties

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