AC1L6VB5
[3,4-dibenzoyloxy-5-(7-methylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)oxolan-2-yl]methyl benzoate
Also Known As: 7-(methylsulfanyl)-3-(2,3,5-tri-O-benzoylpentofuranosyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine|[3,4-dibenzoyloxy-5-(7-methylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)oxolan-2-yl]methyl benzoate|3H-1,3-Triazolo[4,5-d]pyrimidine, 7-(methylthio)-3-(2,3,5-tri-O-benzoyl-.beta.-D-ribofuranosyl)-
CAS: 53372-46-6
| Molecular Formula | C31H25N5O7S |
|---|---|
| Molecular Weight | 611.14746 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 611.14746 |
| Monoisotopic Mass | 611.14746 |
| Heavy Atoms | 44 |
| Complexity | 990.0 |
Chemical Identifiers
| CAS Number | 53372-46-6 |
|---|---|
| SMILES | CSC1=NC=NC2=C1N=NN2C3C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6 |
| InChIKey | XVWDUUYIMNDSBG-UHFFFAOYSA-N |
Product Overview
AC1L6VB5 (CAS 53372-46-6), with molecular formula C31H25N5O7S and molecular weight 611.14746 g/mol. IUPAC: [3,4-dibenzoyloxy-5-(7-methylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)oxolan-2-yl]methyl benzoate.
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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