CpCp
1,2-bis[(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethyl phosphono hydrogen phosphate
Also Known As: CpCp|Cytidylyl-(3'-5')-3'-cytidylic acid|KST-1B3588|1,2-bis[(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethyl phosphono hydrogen phosphate|1,2-bis[(2s,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]ethyl phosphono hydrogen phosphate|Diphosphorsaeure-1-(2-amino-aethylester)-2-cytidin-5'-ylester|4-Amino-1-{6-[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3 ,4-dihydroxytetrahydro-2-furanyl]-6-deoxy-5-O-[hydroxy(phosphonoo xy)phosphoryl]-|A-D-allofuranosyl}-2(1H)-pyrimidinone
| Molecular Formula | C18H26N6O15P2 |
|---|---|
| Molecular Weight | 628.09314 g/mol |
| LogP | -7.7 |
| Topological Polar Surface Area | 330.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 628.09314 |
| Monoisotopic Mass | 628.09314 |
| Heavy Atoms | 41 |
| Complexity | 1290.0 |
Chemical Identifiers
| CAS Number | 36331-57-4 |
|---|---|
| SMILES | C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CC([C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O)OP(=O)(O)OP(=O)(O)O)O)O |
| InChIKey | OZORAFDTIRRQFA-PJHBFNAPSA-N |
Product Overview
CpCp (CAS 36331-57-4), with molecular formula C18H26N6O15P2 and molecular weight 628.09314 g/mol. IUPAC: 1,2-bis[(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethyl phosphono hydrogen phosphate.