Basic information
- CAS
15147-68-9- Standard SMILES
CS(=O)(=O)OCC1OC(n2ncc(=O)[nH]c2=O)C(O)C1O- InChIKey
QEQFJLUSKCCIHL-UHFFFAOYSA-N- Molecular formula
- C9H13N3O8S
- Average molar mass
- 323.28 g/mol
- Monoisotopic mass
- 323.04233556
Names & identifiers
- Preferred name
- [5-(3,5-Dioxo-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl methanesulfonate
- IUPAC
- [5-(3,5-dioxo-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl methanesulfonate
Names & synonyms
NSC28341815147-68-9DTXSID80314435ZINC01859288NSC-2834182-[5-O-(Methanesulfonyl)pentofuranosyl]-1,2,4-triazine-3,5(2H,4H)-dione
Database identifiers
- CAS
15147-68-9- PubChem CID
- 323396
- DTXSID
DTXSID80314435
Properties
Computed structural properties
- XLogP
- -2.6
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 570
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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