Cytidylyl-cytidylyl-adenosine
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Basic information
- CAS
2866-39-9- Standard SMILES
Nc1ccn([C@@H]2O[C@H](CCOP(=O)(O)OP(=O)(OC[C@H]3O[C@@H](n4ccc(N)nc4=O)[C@H](O)[C@@H]3O)O[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)n1- InChIKey
VRKNQRXJYKILOX-FEQDLHONSA-N- Molecular formula
- C28H37N11O18P2
- Average molar mass
- 877.6 g/mol
- Monoisotopic mass
- 877.17932737
Names & identifiers
- Preferred name
- Cytidylyl-cytidylyl-adenosine
- IUPAC
- [2-[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl] phosphate
- English name
- cytidylyl-cytidylyl-adenosine
- Molecular formula
- C28H37N11O18P2
- Molecular weight
- 877.6
Names & synonyms
CpCpACytidylyl-cytidylyl-adenosine2866-39-9Adenosine, cytidylyl-(3'-5')-cytidylyl-(3'-5')-RefChem:130319[2-[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl] phosphateSCHEMBL29598336Adenosine, cytidylyl-(3'→5')-cytidylyl-(3'→5')-
Database identifiers
- CAS
2866-39-9- PubChem CID
- 193364
Properties
Computed structural propertiesFilling in
- XLogP
- -8.6
- Topological polar surface area
- 427 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 14
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,830
Physicochemical properties
- Boiling point
- 1240.8 · 1240.8±75.0 °C(Predicted)
- Density
- 2.28 · 2.28±0.1 g/cm3(Predicted)
- pka
- 1.37 · 1.37±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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