Poly(2'-ethylthioadenylic acid)
[(2R,3S,4R,5R)-5-(6-amino-2-ethylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Also Known As: Poly(2'-ethylthioadenylic acid)|2-(ethylsulfanyl)adenosine 5'-(dihydrogen phosphate)|2-(Ethylthio)adenosine 5 -phosphoric acid|[(2R,3S,4R,5R)-5-(6-amino-2-ethylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate|2-(Ethylsulfanyl)-9-(5-O-phosphonopentofuranosyl)-9H-purin-6-amine|{[(2R,3S,4R,5R)-5-[6-amino-2-(ethylsulfanyl)-9H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
| Molecular Formula | C12H18N5O7PS |
|---|---|
| Molecular Weight | 407.06647 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 211.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.06647 |
| Monoisotopic Mass | 407.06647 |
| Heavy Atoms | 26 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 91054-41-0 |
|---|---|
| SMILES | CCSC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N |
| InChIKey | KSEHCVZYQVNMHL-IOSLPCCCSA-N |
Product Overview
Poly(2'-ethylthioadenylic acid) (CAS 91054-41-0), with molecular formula C12H18N5O7PS and molecular weight 407.06647 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(6-amino-2-ethylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate.
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