Adenosine, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate
[(4aR,6R,7R,7aR)-6-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate
Also Known As: 2'-O-Monobutyryl-cAMP|2 -O-Monobutyryl cAMP|O2'-Monobutyryl Cyclic AMP|2-Chloro-3,5-diiodobenzoic acid|KST-1A2313|Adenosine Impurity 55(2'-O-Mb-Camp)|Adenosine, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate|2'-O-monobutyryl 3',5'-cyclic monophosphate|Adenosine, cyclic 3,5-(hydrogen phosphate) 2-butanoate|2 -O-Butyryladenosine 3 ,5 -phosphoric acid|Adenosine,cyclic 3,5-(hydrogen phosphate) 2-butanoate|Adenosine, cyclic 3',5'-(hydrogen phosphate) 2'-butyrate|(4AR,6R,7R,7aR)-6-(6-amino-9H-purin-9-yl)-2-hydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl butyrate|(4ar,6r,7r,7ar)-6-(6-amino-9h-purin-9-yl)-2-hydroxy-2-oxidotetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl butanoate|[(4aR,6R,7R,7aR)-6-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate|(4aR,6R,7R,7aR)-6-(6-amino-9H-purin-9-yl)-2-hydroxy-2-oxo-hexahydro-2-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl butanoate|(4aR,6R,7R,7aR)-6-(6-amino-9H-purin-9-yl)-2-hydroxy-2-oxo-hexahydro-2lambda5-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl butanoate|(4aR,6R,7R,7aR)-6-(6-Amino-9H-purin-9-yl)-2-hydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl butanoate|Butyric acid, 2'-ester with adenosine cyclic 3',5'-(hydrogen phosphate); 2'-O-Butyryladenosine 3',5'-cyclic phosphate; 2'-O-Monobutyryl 3',5'-adenosine monophosphate; 2'-O-Monobutyryl-cAMP; 2'-O-Monobutyryl-cyclic AMP; 2'-O-Monobutyryladenosine 3',5'-cyclic monophosphate; O2'-Butyryl cyclic-AMP; O2'-Monobutyryl cyclic AMP; O2'-Monobutyryladenosine 3',5'-cyclic monophosphate;
| Molecular Formula | C14H18N5O7P |
|---|---|
| Molecular Weight | 399.0944 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.0944 |
| Monoisotopic Mass | 399.0944 |
| Heavy Atoms | 27 |
| Complexity | 627.0 |
Chemical Identifiers
| CAS Number | 188-87-4 |
|---|---|
| SMILES | CCCC(=O)O[C@@H]1[C@H]2[C@@H](COP(=O)(O2)O)O[C@H]1N3C=NC4=C(N=CN=C43)N |
| InChIKey | XJMWDVLBPAAXPW-FRJWGUMJSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Adenosine, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate (CAS 188-87-4), with molecular formula C14H18N5O7P and molecular weight 399.0944 g/mol. IUPAC: [(4aR,6R,7R,7aR)-6-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate.