AC1L7NKB
[5-(6-benzylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Also Known As: [5-(6-benzylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate|6-(Benzylsulfanyl)-2-(5-O-phosphonopentofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione
CAS: 90302-17-3
| Molecular Formula | C15H18N3O9PS |
|---|---|
| Molecular Weight | 447.05014 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 204.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.05014 |
| Monoisotopic Mass | 447.05014 |
| Heavy Atoms | 29 |
| Complexity | 711.0 |
Chemical Identifiers
| CAS Number | 90302-17-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NN(C(=O)NC2=O)C3C(C(C(O3)COP(=O)(O)O)O)O |
| InChIKey | DHRXCURJGPMIMO-UHFFFAOYSA-N |
Product Overview
AC1L7NKB (CAS 90302-17-3), with molecular formula C15H18N3O9PS and molecular weight 447.05014 g/mol. IUPAC: [5-(6-benzylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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