Basic information
- CAS
2536-99-4- Standard SMILES
Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(N)nc4=O)O[C@@H]3CO)[C@@H](O)[C@H]2O)c(=O)n1- InChIKey
PTLMIIUMLITBQT-NCOIDOBVSA-N- Molecular formula
- C18H25N6O12P
- Average molar mass
- 548.4 g/mol
- Monoisotopic mass
- 548.12680725
Names & identifiers
- Preferred name
- Cytidylyl-(3'->5')-cytidine
- IUPAC
- [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
- English name
- cytidylyl-(3'->5')-cytidine
- Molecular formula
- C18H25N6O12P
- Molecular weight
- 548.4
Names & synonyms
Cytidylyl-(3'-5')-cytidine2536-99-4DTXSID901311479Cytidine-3'-phosphate-5'-cytidinecytidylyl-(3'->5')-cytidineRefChem:919511DTXCID301741313219-802-9EINECS 219-802-9NSC 91550NSC 131650Cytidylyl-(3'.5')-cytidine
Show more names
5'-O-(3'-Cytidylyl)cytidineCytidine, cytidylyl-(3'→5')-
Cytidine, cytidylyl-(3'5')-Cytidylyl-(3a(2)a5a(2))-cytidine((2R,3S,4R,5R)-5-(4-Amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl ((2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl) hydrogen phosphate[(2R,3S,4R,5R)-5-(4-Amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl hydrogen phosphate
Database identifiers
- CAS
2536-99-4- PubChem CID
- 94237
- DTXSID
DTXSID901311479- EC Number
- 219-802-9
- Nikkaji
- J192.025A
Properties
Computed structural properties
- XLogP
- -6.5
- Topological polar surface area
- 273 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,100
Physicochemical properties
- Boiling point
- 905.8 · 905.8±75.0 °C(Predicted)
- Density
- 2.13 · 2.13±0.1 g/cm3(Predicted)
- pka
- 1.37 · 1.37±0.50(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…