1-[2-O-acetyl-3,5-bis-O-(4-methylbenzoyl)pentofuranosyl]-5-iodopyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
1-[2-O-acetyl-3,5-bis-O-(4-methylbenzoyl)pentofuranosyl]-5-iodopyrimidine-2,4(1H,3H)-dione
1-[2-O-acetyl-3,5-bis-O-(4-methylbenzoyl)pentofuranosyl]-5-iodopyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | 8008-3189 |
| Compound Name: | 1-[2-O-acetyl-3,5-bis-O-(4-methylbenzoyl)pentofuranosyl]-5-iodopyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 648.41 |
| Molecular Formula: | C27 H25 I N2 O9 |
| Smiles: | CC(=O)OC1C(C(COC(c2ccc(C)cc2)=O)OC1N1C=C(C(NC1=O)=O)I)OC(c1ccc(C)cc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7448 |
| logD: | 4.696 |
| logSw: | -4.5395 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.247 |
| InChI Key: | NRUPRHFQGBCWJJ-UHFFFAOYSA-N |