Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
S-Adenosyl-DL-methionine |
EINECS | N/A |
CAS No. | 17176-17-9 | Density | N/A |
PSA | 273.51000 | LogP | 1.33920 |
Solubility | N/A | Melting Point |
78℃ |
Formula | C15H22N6O5S | Boiling Point | N/A |
Molecular Weight | 398.443 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Methionine,S-adenosyl-, DL- (8CI);S-(5'-Adenosyl)-DL-methionine; |
Article Data | 9 |
The S-Adenosyl-DL-methionine is an organic compound with the formula C15H22N6O5S. The IUPAC name of this chemical is 2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonio]butanoate. With the CAS registry number 17176-17-9, it is also named as Adenosine, 5'-((3-amino-3-carboxypropyl)methylsulfonio)-5'-deoxy-, inner salt. Besides, it should be stored at temperature of -20 °C.
Physical properties about S-Adenosyl-DL-methionine are: (1)#H bond acceptors: 11; (2)#H bond donors: 7; (3)#Freely Rotating Bonds: 10; (4)Polar Surface Area: 115.07 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)C(N)CC[S+](C)C(O)[C@H]3O[C@@H](n2cnc1c(ncnc12)N)C[C@@H]3O
(2)InChI: InChI=1/C15H22N6O5S/c1-27(3-2-7(16)14(23)24)15(25)11-8(22)4-9(26-11)21-6-20-10-12(17)18-5-19-13(10)21/h5-9,11,15,22,25H,2-4,16H2,1H3,(H2-,17,18,19,23,24)/t7?,8-,9+,11-,15?,27?/m0/s1
(3)InChIKey: SJMGJGKKCDEXHB-ZQJPQHTCBV
(4)Std. InChI: InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)14(23)24)15(25)11-8(22)4-9(26-11)21-6-20-10-12(17)18-5-19-13(10)21/h5-9,11,15,22,25H,2-4,16H2,1H3,(H2-,17,18,19,23,24)/t7?,8-,9+,11-,15?,27?/m0/s1
(5)Std. InChIKey: SJMGJGKKCDEXHB-ZQJPQHTCSA-N