AC1NR2RQ
[5-(6-benzylsulfanyl-3-oxo-5-sulfanylidene-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Also Known As: [5-(6-benzylsulfanyl-3-oxo-5-sulfanylidene-1,2,4-triazin-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate|6-(Benzylsulfanyl)-2-(5-O-phosphonopentofuranosyl)-5-sulfanylidene-4,5-dihydro-1,2,4-triazin-3(2H)-one
CAS: 90302-14-0
| Molecular Formula | C15H18N3O8PS2 |
|---|---|
| Molecular Weight | 463.02728 g/mol |
| LogP | 0.32169 |
| Topological Polar Surface Area | 167.13 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 463.02728 |
| Monoisotopic Mass | 463.02728 |
| Heavy Atoms | 29 |
| Complexity | 1010.6114 |
Chemical Identifiers
| CAS Number | 90302-14-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NN(C(=O)NC2=S)C3C(C(C(O3)COP(=O)(O)O)O)O |
Product Overview
AC1NR2RQ (CAS 90302-14-0), with molecular formula C15H18N3O8PS2 and molecular weight 463.02728 g/mol. IUPAC: [5-(6-benzylsulfanyl-3-oxo-5-sulfanylidene-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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