Basic information
- CAS
3013-97-6- Standard SMILES
Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(=O)[nH]c4=O)O[C@@H]3CO)[C@@H](O)[C@H]2O)c(=O)n1- InChIKey
LENQVXALZPDAFB-NCOIDOBVSA-N- Molecular formula
- C18H24N5O13P
- Average molar mass
- 549.4 g/mol
- Monoisotopic mass
- 549.11082283
Names & identifiers
- Preferred name
- Uridylyl-(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-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
- English name
- cytidylyl-(5'->3')-uridine
- Molecular formula
- C18H24N5O13P
- Molecular weight
- 549.38
Names & synonyms
Uridylyl-(3'-5')-cytidine3013-97-6DTXSID301312279RefChem:933856cytidylyl-(5'-3')-uridineUridylyl-(3'->5')-cytidineDTXCID301742080221-148-4EINECS 221-148-4NSC 131649Cytidylyl-(5'.3')-uridineLENQVXALZPDAFB-NCOIDOBVSA-N
Show more names
UpCNsc1316495'-O-(3'-Uridylyl)cytidine3'-O-(5'-Cytidylyl)uridinecytidylyl-(5'->3')-uridineCytidine, uridylyl-(3'→5')-Uridylyl-(3'---5')-cytidine(UpA)Uridylyl-(3'---5')-Cytidine(Upa),>94%
cytidylyl-(5'->3')-uridineUridylyl-(3a(2)a5a(2))-cytidine[(2R,3S,4R,5R)-5-(4-Amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl hydrogen phosphate
Database identifiers
- CAS
3013-97-6
Properties
Computed structural properties
- XLogP
- -6.1
- 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
Physicochemical properties
- Density
- 2.133 · 2.133±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.367 · 1.367±0.50(predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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