5-Imino-3-pentofuranosyl-4,5-dihydroimidazo[4,5-d][1,3]oxazin-7(3H)-one
Basic information
- CAS
80394-72-5- Standard SMILES
Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)o1- InChIKey
PWVUOVPUCZNICU-UHFFFAOYSA-N- Molecular formula
- C10H12N4O6
- Average molar mass
- 284.23 g/mol
- Monoisotopic mass
- 284.07568412
Names & identifiers
- Preferred name
- 5-Imino-3-pentofuranosyl-4,5-dihydroimidazo[4,5-d][1,3]oxazin-7(3H)-one
- IUPAC
- 5-amino-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[4,5-d][1,3]oxazin-7-one
- English name
- oxanosine
- Molecular formula
- C10H12N4O6
- Molecular weight
- 284.23
Names & synonyms
NSC359452CHEMBL1969011DTXSID501001212NSC-359452NCI60_0032625-Imino-3-pentofuranosyl-4,5-dihydroimidazo[4,5-d][1,3]oxazin-7(3H)-oneoxanosine1-Oxaguanosine5-Aminoimidazole-4-carboxamide-1-b-D-ribofuranoside-13C2,15N5-Amino-3-β-D-ribofuranosylimidazo[4,5-d][1,3]oxazin-7(3H)-oneImidazo[4,5-d][1,3]oxazin-7(3H)-one, 5-amino-3-β-D-ribofuranosyl-5-Amino-3-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)imidazo[4,5-d][1,3]oxazin-7(3H)-one
Database identifiers
- CAS
80394-72-5- PubChem CID
- 338182
- DTXSID
DTXSID501001212- ChEMBL
CHEMBL1969011
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 445
Physicochemical properties
- Melting point
- 199 °C · 199 °C(Solv: water (7732-18-5))
- Boiling point
- 758.1 · 758.1±70.0 °C(Predicted)
- Density
- 2.23 · 2.23±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- pka
- 13.17 · 13.17±0.70(Predicted)
- form
- A solid
Chemistry & industry
Applications
UsesOxanosine is an antibiotic isolated from the streptomyces MG265-CF34, which has anti-tumor activity. Oxanosine is also a substrate for adenosine deaminase[1][2].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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