Cytidylyl-(2'->5')-adenosine
Basic information
- CAS
22886-36-8- Standard SMILES
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c(=O)n1- InChIKey
ZETGRAMOFJURSW-KPKSGTNCSA-N- Molecular formula
- C19H25N8O11P
- Average molar mass
- 572.4 g/mol
- Monoisotopic mass
- 572.13804064
Overview
structure given in first source
Names & identifiers
- Preferred name
- Cytidylyl-(2'->5')-adenosine
- IUPAC
- [(2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
Names & synonyms
Cytidylyl-2',5'-adenosine22886-36-8C2'p5'ADTXSID701310144RefChem:919510Cytidylyl-(2'->5')-adenosineDTXCID101740002245-296-4Cytidylyl(2'.5')adenosineEINECS 245-296-4[(2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphatecytidylyl(2'-5')adenosine
Show more names
Cytidylyl-(2a(2)a5a(2))-adenosine(2R,3R,4R,5R)-2-(4-Amino-2-oxopyrimidin-1(2H)-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
Database identifiers
- CAS
22886-36-8- PubChem CID
- 89886
- DTXSID
DTXSID701310144- EC Number
- 245-296-4
- Nikkaji
- J318.349A
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
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Related reactions
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Compound notes
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