TL;DR: 3NH-D-arab-ddU deriv. (CAS 133488-27-4) is a chemical compound with molecular formula C10H14ClN3O5 and molecular weight 291.0622 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2S,4R,5S)-4-amino-5-[(1R)-1,2-dihydroxyethyl]oxolan-2-yl]-5-chloropyrimidine-2,4-dione
Also Known As: 3NH-D-arab-ddU deriv., 2,4(1H,3H)-Pyrimidinedione, 1-(3-amino-2,3-dideoxy-alpha-D-arabino-hexofuranosyl)-5-chloro-, 1-(3-Amino-2,3-dideoxy-alpha-D-arabino-hexofuranosyl)-5-chlorouracil, 1-(3-Amino-2,3-dideoxy.-alpha.-D-arabino-hexofuranosyl)-5-chlorouracil, 1-(3-Amino-2,3-dideoxy-alpha-D-arabino-hexofuranosyl)-5-chloropyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C10H14ClN3O5 |
| Molecular Weight | 291.0622 g/mol |
| XLogP | -1.6 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.0622 Da |
| Heavy Atoms | 19 |
| Complexity | 429.0 |
| SMILES | C1[C@H]([C@H](O[C@@H]1N2C=C(C(=O)NC2=O)Cl)[C@@H](CO)O)N |
| InChIKey | OARFQCHQOAHGCU-NGJRWZKOSA-N |
The XLogP value of -1.6 indicates that 3NH-D-arab-ddU deriv. is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3NH-D-arab-ddU deriv.. Following Lipinski's Rule of Five, 3NH-D-arab-ddU deriv. has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3NH-D-arab-ddU deriv. is 133488-27-4.
The molecular formula of 3NH-D-arab-ddU deriv. is C10H14ClN3O5.
The molecular weight of 3NH-D-arab-ddU deriv. is 291.0622 g/mol.
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