2-(2-Deoxy-beta-D-erythro-pentofuranosyl)-6-methyl-1,2,4-triazine-3,5(2H,4H)-dione
Basic information
- CAS
13410-30-5- Standard SMILES
Cc1nn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O- InChIKey
LXHOFEUVCQUXRZ-RRKCRQDMSA-N- Molecular formula
- C9H13N3O5
- Average molar mass
- 243.22 g/mol
- Monoisotopic mass
- 243.08552052
Overview
6-azathymidine is a N-glycosyl-1,2,4-triazine that is the 6-aza analogue of thymidine. It has a role as a Mycoplasma genitalium metabolite and an antiviral agent. It is a N-glycosyl-1,2,4-triazine and a nucleoside analogue. It is functionally related to a 6-azathymine.
Names & identifiers
- Preferred name
- 2-(2-Deoxy-beta-D-erythro-pentofuranosyl)-6-methyl-1,2,4-triazine-3,5(2H,4H)-dione
- IUPAC
- 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,2,4-triazine-3,5-dione
- English name
- 5-Methyl-2'-deoxy-6-azauridine
- Molecular formula
- C9H13N3O5
- Molecular weight
- 243.22
Names & synonyms
6-AzathymidineAzathymidine13410-30-52-(2-Deoxy-beta-D-erythro-pentofuranosyl)-6-methyl-1,2,4-triazine-3,5(2H,4H)-dione2-(2'-Deoxy-D-ribofuranosyl)-6-methyl-as-triazine-3,5(2H,4H)-dioneCHEBI:1315801,2,4-Triazine-3,5(2H,4H)-dione, 2-(2-deoxy-beta-D-erythro-pentofuranosyl)-6-methyl-RefChem:10608592-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,2,4-triazine-3,5-dioneBRN 00303802'-deoxy-6-azathymine6-aza-2'-deoxythymine
Show more names
2-(2-Deoxy-β-D-erythro-pentofuranosyl)-6-methyl-1,2,4-triazine-3,5(2H,4H)-dione1,2,4-Triazine-3,5(2H,4H)-dione, 2-(2-deoxy-β-D-erythro-pentofuranosyl)-6-methyl-
2'-deoxy-6-azathymidine6-aza-2'-deoxythymidine4-26-00-00557 (Beilstein Handbook Reference)CHEMBL463659SCHEMBL19848385-Methyl-2'-deoxy-6-azauridineNSC 80211Q27225201
Database identifiers
- CAS
13410-30-5- PubChem CID
- 96565
- ChEMBL
CHEMBL463659- ChEBI
CHEBI:131580- Nikkaji
- J15.444J
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 383
Chemistry & industry
Additional notes
DefinitionChEBI: A N-glycosyl-1,2,4-triazine that is the 6-aza analogue of thymidine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…