Bis(3'-5')cyclic diuridine monophosphate
Basic information
- CAS
73120-97-5- Standard SMILES
O=c1ccn([C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5ccc(=O)[nH]c5=O)O[C@@H]4COP(=O)(O)O[C@H]3[C@H]2O)c(=O)[nH]1- InChIKey
ADHSUZMEJHOWOL-NCOIDOBVSA-N- Molecular formula
- C18H22N4O16P2
- Average molar mass
- 612.3 g/mol
- Monoisotopic mass
- 612.05060462
Names & identifiers
- Preferred name
- Bis(3'-5')cyclic diuridine monophosphate
- IUPAC
- 1-[(1S,6R,8R,9R,10S,15R,17R,18R)-17-(2,4-dioxopyrimidin-1-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]pyrimidine-2,4-dione
- English name
- bis(3'-5')cyclic diuridine monophosphate
- Molecular formula
- C18H22N4O16P2
- Molecular weight
- 612.332002
Names & synonyms
Cyclo-upupCyclic bis((3'-5')uridylic acid)73120-97-5Cyclo(uridylyl-(3'-5')uridine monophosphate)Bis(3'-5')cyclic diuridine monophosphate3'-Uridylic acid, uridylyl-(3'-5')-, cyclic nucleotideRefChem:120102SCHEMBL29359340DTXSID00993867(2R,3R,3aS,7aR,9R,10R,10aS,14aR)-3,5,10,12-Tetrahydroxy-2,9-bis(4-hydroxy-2-oxopyrimidin-1(2H)-yl)octahydro-2H,5H,7H,12H-5lambda~5~,12lambda~5~-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-5,12-dione3,5,10,12-Tetrahydroxy-2,9-bis(4-hydroxy-2-oxopyrimidin-1(2H)-yl)octahydro-2H,5H,7H,12H-5lambda~5~,12lambda~5~-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-5,12-dione9BJ
Show more names
c-di-UMP3'-Uridylic acid, uridylyl-(3'→5')-, cyclic nucleotide
Database identifiers
- CAS
73120-97-5- PubChem CID
- 194491
- DTXSID
DTXSID00993867
Properties
Computed structural properties
- XLogP
- -5.9
- Topological polar surface area
- 269 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 2
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,170
Physicochemical properties
- Density
- 1.95 · 1.95±0.1 g/cm3(Predicted)
- pka
- 0.74 · 0.74±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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