1-[2-O-acetyl-3,5-bis-O-(4-methylbenzoyl)pentofuranosyl]-4-hydroxypyrimidine-2(1H)-thione
Chemical Structure Depiction of
1-[2-O-acetyl-3,5-bis-O-(4-methylbenzoyl)pentofuranosyl]-4-hydroxypyrimidine-2(1H)-thione
1-[2-O-acetyl-3,5-bis-O-(4-methylbenzoyl)pentofuranosyl]-4-hydroxypyrimidine-2(1H)-thione
Compound characteristics
| Compound ID: | 8014-1464 |
| Compound Name: | 1-[2-O-acetyl-3,5-bis-O-(4-methylbenzoyl)pentofuranosyl]-4-hydroxypyrimidine-2(1H)-thione |
| Molecular Weight: | 538.58 |
| Molecular Formula: | C27 H26 N2 O8 S |
| Smiles: | CC(=O)OC1C(C(COC(c2ccc(C)cc2)=O)OC1N1C=CC(=NC1=S)O)OC(c1ccc(C)cc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0143 |
| logD: | 0.5317 |
| logSw: | -4.1164 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.884 |
| InChI Key: | PMFZESFCGSFNDS-UHFFFAOYSA-N |