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| CAS No.: | 17176-17-9 |
|---|---|
| Name: | Adenosine,5'-[(3-amino-3-carboxypropyl)methylsulfonio]-5'-deoxy-, inner salt (9CI) |
| Article Data: | 9 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C15H22N6O5S |
| Molecular Weight: | 398.443 |
| Synonyms: | Methionine,S-adenosyl-, DL- (8CI);S-(5'-Adenosyl)-DL-methionine; |
| EINECS: | N/A |
| Density: | N/A |
| Melting Point: | 78℃ |
| Boiling Point: | N/A |
| Flash Point: | N/A |
| Solubility: | N/A |
| Appearance: | N/A |
| Hazard Symbols: |
 Xi
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| Risk Codes: | N/A |
| Safety: | |
| Transport Information: | N/A |
| PSA: | 273.51000 |
| LogP: | 1.33920 |
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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
