Basic information
- CAS
22886-34-6- Standard SMILES
Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O[C@@H]3[C@H](O)[C@@H](CO)O[C@H]3n3ccc(=O)[nH]c3=O)[C@@H](O)[C@H]2O)c(=O)n1- InChIKey
LMZJQZFJJNJBSQ-NCOIDOBVSA-N- Molecular formula
- C18H24N5O13P
- Average molar mass
- 549.4 g/mol
- Monoisotopic mass
- 549.11082283
Names & identifiers
- Preferred name
- Einecs 245-295-9
- IUPAC
- [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
Names & synonyms
22886-34-6EINECS 245-295-9Cytidylyl-(5'.2')-uridineDTXSID101311994Uridylyl-(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-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl hydrogen phosphate
Database identifiers
- CAS
22886-34-6- PubChem CID
- 89885
- DTXSID
DTXSID101311994- EC Number
- 245-295-9
- Nikkaji
- J318.348C
Properties
Computed structural properties
- XLogP
- -5.6
- Topological polar surface area
- 263 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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