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29908-03-0

Basic Information
CAS No.: 29908-03-0
Name: S-Adenosyl-L-methionine
Molecular Structure:
Molecular Structure of 29908-03-0 (S-Adenosyl-L-methionine)
Formula: C15H22N6O5S
Molecular Weight: 398.49
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: 249-946-8
Density:
Melting Point: 247-249oC
Boiling Point:
Flash Point:
Solubility:
Appearance:
Hazard Symbols:
Risk Codes: 49-23-34
Safety: 53-23-36/37/39-45
Transport Information:
PSA: 547.02000
LogP: -0.26280
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Specification

The S-Adenosyl-L-methionine, with the CAS registry number 29908-03-0,is also known as (3S)-5'-[(3-Amino-3-carboxylatopropyl)methylsulphonio]-5'-deoxyadenosine; SAM. It belongs to the product categories of Nutritional Supplements.Its EINECS number is 249-946-8. This chemical's molecular formula is C15H22N6O5S and molecular weight is 398.44. What's more,Its systematic name is S-Adenosyl-L-methionine.Physiologic methyl radical donor involved in enzymatic transmethylation reactions and present in all living organisms. It possesses anti-inflammatory activity and has been used in treatment of chronic liver disease.Some research has indicated that taking S-Adenosylmethionine (CAS NO.29908-03-0) on a regular basis may help fight depression, liver disease, and the pain of osteoarthritis. Multiple clinical trials indicate benefits for depression, some liver conditions and osteoarthritis. All other indications are not yet proven. Therapeutic use of S-Adenosylmethionine has increased as dietary supplements have gained in popularity.

Physical properties about S-Adenosyl-L-methionine are:
(1)ACD/LogP:  0.464; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  -2.98; (4)ACD/LogD (pH 7.4):  -3.04; (5)ACD/BCF (pH 5.5):  1.00; (6)ACD/BCF (pH 7.4):  1.00; (7)ACD/KOC (pH 5.5):  1.00; (8)ACD/KOC (pH 7.4):  1.00; (9)#H bond acceptors:  4; (10)#H bond donors:  1; (11)#Freely Rotating Bonds:  0; (12)Polar Surface Area:  75.11 ?2; (13)Flash Point:  219.3 °C; (14)Enthalpy of Vaporization:  73.34 kJ/mol ; (15)Boiling Point:  438.9 °C at 760 mmHg; (16)Vapour Pressure:  1.77E-08 mmHg at 25°C .

You can still convert the following datas into molecular structure:
(1)SMILES:[O-]C(=O)[C@@H](N)CC[S+](C)C[C@H]3O[C@@H](n2cnc1c(ncnc12)N)[C@H](O)[C@@H]3O;
(2)Std. InChI:InChI=1S/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;
(3)Std. InChIKey:MEFKEPWMEQBLKI-AIRLBKTGSA-N.