Azaribin
Basic information
- CAS
2169-64-4- Standard SMILES
CC(=O)OCC1OC(n2ncc(=O)[nH]c2=O)C(OC(C)=O)C1OC(C)=O- InChIKey
QQOBRRFOVWGIMD-UHFFFAOYSA-N- Molecular formula
- C14H17N3O9
- Average molar mass
- 371.3 g/mol
- Monoisotopic mass
- 371.09647913
Names & identifiers
- Preferred name
- Azaribin
- IUPAC
- [3,4-diacetyloxy-5-(3,5-dioxo-1,2,4-triazin-2-yl)oxolan-2-yl]methyl acetate
Names & synonyms
Azaribin6-AzUR TA1,2,4-Triazine-3,5(2H,4H)-dione,2-(2,3,5-tri-O-acetyl-b-D-ribofuranosyl)-TA-Azur6-AzUR-TAAZRNCIOpen2_0083372',5'-Triacetyl-6-azauridineCHEMBL1989552SCHEMBL199317561,2,4-Triazine-3,5(2H,4H)-dione, 2-(2,3,5-tri-O-acetyl-.beta.-D-ribofuranosyl)-2-.beta.-D-Ribofuranosyl-as-triazine-3,5(2H,4H)-dione 2',3',5'-triacetate
Show more names
QQOBRRFOVWGIMD-UHFFFAOYSA-N6-Azauridine-2',3',5'-triacetateNCI60_025720DB-045669as-Triazine-3,4H)-dione, 2-.beta.-D-ribofuranosyl-, triacetate2-.beta.-D-Ribofuranosyl-as-triazine-3,4H)-dione 2',3',5'-triacetateas-Triazine-3,4H)-dione, 2-(2',3',5'-triacetyl-.beta.-D-ribofuranosyl)-as-Triazine-3,4H)-dione, 2-.beta.-D-ribofuranosyl-, 2',3',5'-triacetate
Database identifiers
- CAS
2169-64-4- PubChem CID
- 249187
- ChEMBL
CHEMBL1989552
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 662
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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