beta-Methylene adenosine phosphosulfate
[[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methanesulfonic acid
Also Known As: beta-Methylene aps|beta-Methylene adenosine phosphosulfate|Adenosine,5'-(hydrogen (sulfomethyl)phosphonate)|Adenosine, 5'-(hydrogen (sulfomethyl)phosphonate)|[[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methanesulfonic acid|9-{5-O-[Hydroxy(sulfomethyl)phosphoryl]-D-ribofuranosyl}-9H-purin-6-amine|9-{5-O-[Hydroxy(sulfomethyl)phosphoryl]pentofuranosyl}-9H-purin-6-amine
| Molecular Formula | C11H16N5O9PS |
|---|---|
| Molecular Weight | 425.04065 g/mol |
| LogP | -4.0 |
| Topological Polar Surface Area | 229.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.04065 |
| Monoisotopic Mass | 425.04065 |
| Heavy Atoms | 27 |
| Complexity | 692.0 |
Chemical Identifiers
| CAS Number | 120975-36-2 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)C3[C@@H]([C@@H]([C@H](O3)COP(=O)(CS(=O)(=O)O)O)O)O)N |
| InChIKey | KHJWGJQWZBBXEI-YNJARDAQSA-N |
Product Overview
beta-Methylene adenosine phosphosulfate (CAS 120975-36-2), with molecular formula C11H16N5O9PS and molecular weight 425.04065 g/mol. IUPAC: [[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methanesulfonic acid.