TL;DR: Elacytarabine (CAS 101235-34-1) is a chemical compound with molecular formula C27H45N3O6 and molecular weight 507.33084 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (E)-octadec-9-enoate
Also Known As: Elacytarabine, Elacitarabina, ELACYT, elacytarabinum, 5'-Oleoyl cytarabine
| Molecular Formula | C27H45N3O6 |
| Molecular Weight | 507.33084 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 19 |
| Exact Mass | 507.33084 Da |
| Heavy Atoms | 36 |
| Complexity | 754.0 |
| SMILES | CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O |
| InChIKey | FLFGNMFWNBOBGE-FNNZEKJRSA-N |
The XLogP value of 5.7 indicates that Elacytarabine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Elacytarabine. Following Lipinski's Rule of Five, Elacytarabine has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Elacytarabine is 101235-34-1.
The molecular formula of Elacytarabine is C27H45N3O6.
The molecular weight of Elacytarabine is 507.33084 g/mol.
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