Basic information
- CAS
40919-33-3- Standard SMILES
O=c1n[n+]([O-])ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O- InChIKey
WFWMIUSHSIJAKH-DBRKOABJSA-N- Molecular formula
- C8H11N3O6
- Average molar mass
- 245.19 g/mol
- Monoisotopic mass
- 245.06478508
Overview
structure; uridine antagonist
Names & identifiers
- Preferred name
- 4-beta-D-ribofuranosyl-as-triazin-3(4H)-one 1-oxide
- IUPAC
- 4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-oxido-1,2,4-triazin-1-ium-3-one
Names & synonyms
4-beta-D-Ribofuranosyl-as-triazin-3(4H)-one 1-oxideRefChem:97989UricytinNSC 1772481,2,4-Triazin-3(4H)-one, 4-beta-D-ribofuranosyl-, 1-oxide
Database identifiers
- CAS
40919-33-3- PubChem CID
- 98911
- Nikkaji
- J1.561.937F
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 383
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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