DdhCTP

Chemical Information
3'-deoxy-3',4'-didehydro-CTP is an organic triphosphate resulting from the formal condensation of the 5'-hydroxy group of 3'-deoxy-3',4'-didehydro-cytidine with triphosphoric acid. It is a chain terminator for RNA-dependent RNA polymerases. It has a role as an EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor, an antiviral agent and an antimetabolite. It is a pyrimidone and an organic triphosphate. It is functionally related to a 3'-deoxy-3',4'-didehydro-cytidine. It is a conjugate acid of a 3'-deoxy-3',4'-didehydro-CTP(4-).
| CAS Number | 2279171-34-3 |
| PubChem CID | 137520688 |
| IUPAC Name | [[(2R,3R)-2-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2,3-dihydrofuran-5-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate |
| Molecular Formula | C9H14N3O13P3 |
| Molecular Weight | 465.14 |
| XLogP | -5.7 |
| Topological Polar Surface Area | 248 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 8 |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 878 |
| Property | Value |
|---|---|
| Molecular Weight | 465.14 |
| XLogP3 | -5.7 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 8 |
| Exact Mass | 464.97394850 |
| Monoisotopic Mass | 464.97394850 |
| Topological Polar Surface Area | 248 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 878 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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