[5-(6-Benzylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Basic information
- CAS
90302-17-3- Standard SMILES
O=c1[nH]c(=O)n(C2OC(COP(=O)(O)O)C(O)C2O)nc1SCc1ccccc1- InChIKey
DHRXCURJGPMIMO-UHFFFAOYSA-N- Molecular formula
- C15H18N3O9PS
- Average molar mass
- 447.4 g/mol
- Monoisotopic mass
- 447.05013733
Names & identifiers
- Preferred name
- [5-(6-Benzylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
- IUPAC
- [5-(6-benzylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Names & synonyms
NSC36019090302-17-3DTXSID40320476NSC-3601906-(Benzylsulfanyl)-2-(5-O-phosphonopentofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione
Database identifiers
- CAS
90302-17-3- PubChem CID
- 338309
- DTXSID
DTXSID40320476
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 204 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 711
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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