adenosine-N-oxide
Basic information
- CAS
146-92-9- Standard SMILES
N=c1c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2ncn1O- InChIKey
QHFLZHVITNUFMV-KQYNXXCUSA-N- Molecular formula
- C10H13N5O5
- Average molar mass
- 283.24 g/mol
- Monoisotopic mass
- 283.09166853
Overview
See also: adenosine N1-oxide (annotation moved to).
Names & identifiers
- Preferred name
- adenosine-N-oxide
- IUPAC
- (2R,3R,4S,5R)-2-(1-hydroxy-6-iminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- English name
- adenosine N1-oxide
- Molecular formula
- C10H13N5O5
- Molecular weight
- 283.24
Names & synonyms
adenosine-N-oxideRefChem:1076186Adenosine N1-oxide146-92-9Adenosine, 1-oxideadenosine 1-oxide6-amino-9-((2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9h-purine 1-oxide(2R,3R,4S,5R)-2-(1-hydroxy-6-iminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diolADENOSINE-N'-OXIDE1-OxoadenosineNSC-128561ANO
Show more names
Antiviral and anti1-Oxylatoadenosine-1-iumadenosine N(sup 1)-oxideAdenosine N1-Oxide, ANOAdenosine N1-oxide, 10 mM in DMSOANO, natural occurring nucleoside
Adenosine-1-N-oxideAdenosine-N1 -oxide2K3CSJ5RMUSCHEMBL611866CHEMBL2032012QHFLZHVITNUFMV-KQYNXXCUSA-NVYSCKHGOLQAMAT-KQYNXXCUSA-NGLXC-05903
Database identifiers
- CAS
146-92-9- PubChem CID
- 459896
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 434
Physicochemical properties
- Melting point
- 155 °C · 155 °C
- Boiling point
- 777.4 · 777.4±70.0 °C(Predicted)
- Density
- 2.15 · 2.15±0.1 g/cm3(Predicted)
- pka
- 13.03 · 13.03±0.70(Predicted)
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- risk_code
- 25
- hazard_code
- T
- safety_code
- 45
Chemistry & industry
Applications
UsesAdenosine N1-oxide is an oral active anti-inflammatory agent, and can be isolated from royal jelly. Adenosine N1-oxide promotes osteogenic and adipocyte differentiation[1][2].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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