TL;DR: DiOAcPhthN-D-ribo-ddT deriv. (CAS 133488-31-0) is a chemical compound with molecular formula C23H23N3O9 and molecular weight 485.14343 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R)-2-acetyloxy-2-[(2S,3S,5S)-3-(1,3-dioxoisoindol-2-yl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethyl] acetate
Also Known As: DiOAcPhthN-D-ribo-ddT deriv., 2,4(1H,3H)-Pyrimidinedione, 1-(5,6-di-O-acetyl-2,3-dideoxy-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-alpha-D-ribo-hexofuranosyl)-5-methyl-, alpha-1-(5,6-Di-O-acetyl-2,3-dideoxy-3-phthalimido-D-ribo-hexafuranosyl)thymine, .alpha.-1-(5,6-Di-O-acetyl-2,3-dideoxy-3-phthalimido-D-ribo-hexafuranosyl)thymine, 1-(5-O,6-O-Diacetyl-3-phthalimidyl-2,3-dideoxy-alpha-D-ribo-hexofuranosyl)-5-methyluracil
| Molecular Formula | C23H23N3O9 |
| Molecular Weight | 485.14343 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 149.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 485.14343 Da |
| Heavy Atoms | 35 |
| Complexity | 969.0 |
| SMILES | CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)[C@@H](COC(=O)C)OC(=O)C)N3C(=O)C4=CC=CC=C4C3=O |
| InChIKey | WNXAFBFUDGBOTL-RDGPPVDQSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DiOAcPhthN-D-ribo-ddT deriv.. The TPSA of 149.0 Ų indicates high polarity, suggesting DiOAcPhthN-D-ribo-ddT deriv. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, DiOAcPhthN-D-ribo-ddT deriv. has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of DiOAcPhthN-D-ribo-ddT deriv. is 133488-31-0.
The molecular formula of DiOAcPhthN-D-ribo-ddT deriv. is C23H23N3O9.
The molecular weight of DiOAcPhthN-D-ribo-ddT deriv. is 485.14343 g/mol.
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