Basic information
- CAS
10318-62-4- Standard SMILES
Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O[C@@H]3[C@H](O)[C@@H](CO)O[C@H]3n3cnc4c(N)ncnc43)[C@@H](O)[C@H]2O)c(=O)n1- InChIKey
URZNAIZQTLTEJZ-KPKSGTNCSA-N- Molecular formula
- C19H25N8O11P
- Average molar mass
- 572.4 g/mol
- Monoisotopic mass
- 572.13804064
Names & identifiers
- Preferred name
- Cytidylyl(5'.2')adenosine
- IUPAC
- [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
Names & synonyms
10318-62-4Cytidylyl(5'.2')adenosineEINECS 233-700-1DTXSID001312644Adenylyl-(2a(2)a5a(2))-cytidine[(2R,3S,4R,5R)-5-(4-Amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl hydrogen phosphate
Database identifiers
- CAS
10318-62-4- PubChem CID
- 112102
- DTXSID
DTXSID001312644- EC Number
- 233-700-1
- Nikkaji
- J236.763G
Properties
Computed structural properties
- XLogP
- -5.2
- Topological polar surface area
- 283 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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