Dibutyryl cyclic 3',5'-cytidine monophosphate
[(4aR,6R,7R,7aR)-6-[4-(butanoylamino)-2-oxopyrimidin-1-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: Dibutyryl cyclic-CMP|KST-1A7259|Dibutyryl cyclic 3',5'-cytidine monophosphate|Dibutyryl cyclic-3',5'-cytidine monophosphate|Dibutyrylcytidine 3 ,5 -cyclic phosphate|N42'-O-DIBUTYRYLCYTIDINE3':5'-CYCLIC|N,2 -O-Dibutyrylcytidine 3 ,5 -phosphoric acid|N,2-O -Dibutyrylcytidine 3 ,5 -phosphoric acid|(4ar,6r,7r,7ar)-6-[4-(butanoylamino)-2-oxopyrimidin-1(2h)-yl]-2-hydroxy-2-oxidotetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl butanoate|Cytidine, N-(1-oxobutyl)-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate|(4aR,6R,7R,7aR)-6-(4-butanamido-2-oxo-1,2-dihydropyrimidin-1-yl)-2-hydroxy-2-oxo-hexahydro-2lambda5-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl butanoate|(4aR,6R,7R,7aR)-6-(4-Butanamido-2-oxopyrimidin-1(2H)-yl)-2-hydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl butanoate|[(4aR,6R,7R,7aR)-6-[4-(butanoylamino)-2-oxopyrimidin-1-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate
| Molecular Formula | C17H24N3O9P |
|---|---|
| Molecular Weight | 445.12503 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 445.12503 |
| Monoisotopic Mass | 445.12503 |
| Heavy Atoms | 30 |
| Complexity | 814.0 |
Chemical Identifiers
| CAS Number | 64649-87-2 |
|---|---|
| SMILES | CCCC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@H]3[C@H](O2)COP(=O)(O3)O)OC(=O)CCC |
| InChIKey | IPICHPMWYGQEKH-HMTTWLPMSA-N |
Product Overview
Dibutyryl cyclic 3',5'-cytidine monophosphate (CAS 64649-87-2), with molecular formula C17H24N3O9P and molecular weight 445.12503 g/mol. IUPAC: [(4aR,6R,7R,7aR)-6-[4-(butanoylamino)-2-oxopyrimidin-1-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate.