TL;DR: A-Cdp-optg (CAS 125592-28-1) is a chemical compound with molecular formula C46H87N3Na2O13P2S+2 and molecular weight 1029.5231 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;[1-[[[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3-octadecylsulfanylpropan-2-yl] hexadecanoate
Also Known As: Cytoros, A-Cdp-optg, Ara-cdp-ptba, Ara-cdp-1-S-octadecyl-2-O-palmitoyl-1-thioglycerol, 1-beta-Arabinofuranosylcytosine 5'-diphosphate-1-octadecyl-2-O-palmitoyl-1-thioglycerol
| Molecular Formula | C46H87N3Na2O13P2S+2 |
| Molecular Weight | 1029.5231 g/mol |
| XLogP | 5.0911 |
| Topological Polar Surface Area (TPSA) | 262.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 44 |
| Exact Mass | 1029.5231 Da |
| Heavy Atoms | 67 |
| Complexity | 1430.0 |
| SMILES | CCCCCCCCCCCCCCCCCCSCC(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCCCCCCCCCC.[Na+].[Na+] |
| InChIKey | IOJAKVFOYVOQAC-YOCDIIJISA-N |
The XLogP value of 5.0911 indicates that A-Cdp-optg is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 262.0 Ų indicates high polarity, suggesting A-Cdp-optg may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A-Cdp-optg has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of A-Cdp-optg is 125592-28-1.
The molecular formula of A-Cdp-optg is C46H87N3Na2O13P2S+2.
The molecular weight of A-Cdp-optg is 1029.5231 g/mol.
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