S-Adenosyl-L-methio...

S-Adenosyl-L-methionine CAS NO.29908-03-0

S-Adenosyl-L-methionine CAS NO.29908-03-0

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S-Adenosyl-L-methionine high purity CAS NO.29908-03-0

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Identification and Related Records

【Name】
S-Adenosyl-L-methionine
【CAS Registry number】
29908-03-0
【Synonyms】
SAMe (S-Adenosyl-L-Methionine butanedisulfonate)
Adenosine,5'-[(3-amino-3-carboxypropyl)methylsulfonio]-5'-deoxy-, hydroxide, inner salt,(3S)-
Adenosine, 5'-[(L-3-amino-3-carboxypropyl)methylsulfonio]-5'-deoxy-,hydroxide, inner salt (8CI)
Methionine, S-adenosyl- (6CI)
Active methionine
Ademetionine
AdoMet
Donamet
L-Methionine, S-adenosyl-
L-S-Adenosylmethionine
S Amet
SAMe
Adenosine,5'-[[(3S)-3-amino-3-carboxypropyl]methylsulfonio]-5'-deoxy-, inner salt
【EINECS(EC#)】
249-946-8
【Molecular Formula】
C15H22N6O5S (Products with the same molecular formula)
【Molecular Weight】
398.44
【Inchi】
InChI=1/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27 /m0/s1
【Canonical SMILES】
CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4
【MOL File】
29908-03-0.mol

Chemical and Physical Properties

【Melting Point】
247-249 deg C
【Solubilities】
In water, 100 mg/l @ neutral pH
【Color/Form】
Crystals from pyridine and water
【Computed Properties】
Molecular Weight:266.29786 [g/mol]
Molecular Formula:C15H14N4O
XLogP3-AA:2
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:1
Tautomer Count:2
Exact Mass:266.116761
MonoIsotopic Mass:266.116761
Topological Polar Surface Area:58.1
Heavy Atom Count:20
Formal Charge:0
Complexity:397
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:3
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:2

 

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