5'-O-Benzoylthymidine
[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
Also Known As: 5'-O-Benzoylthymidine|Oprea1_075432|NCI60_006137|((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl benzoate|1-(5-O-benzoyl-2-deoxypentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione|[3-hydroxy-5-(5-methyl-2,4-dioxo(1,3-dihydropyrimidinyl))oxolan-2-yl]methyl be nzoate|[3-HYDROXY-5-(5-METHYL-2,4-DIOXO-3H-PYRIMIDIN-1-YL)OXOLAN-2-YL]METHYL BENZOATE|[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
| Molecular Formula | C17H18N2O6 |
|---|---|
| Molecular Weight | 346.1165 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.1165 |
| Monoisotopic Mass | 346.1165 |
| Heavy Atoms | 25 |
| Complexity | 584.0 |
Chemical Identifiers
| CAS Number | 35898-29-4 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)C3=CC=CC=C3)O |
| InChIKey | NOEPYUJTOCSCJP-UHFFFAOYSA-N |
Product Overview
5'-O-Benzoylthymidine (CAS 35898-29-4), with molecular formula C17H18N2O6 and molecular weight 346.1165 g/mol. IUPAC: [3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate.