TL;DR: CMP-Neu5Ac (CAS 1007117-62-5) is a chemical compound with molecular formula C20H31N4O16P and molecular weight 614.1473 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,4S,5R,6R)-5-acetamido-2-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Also Known As: CMP-Sialic acid, Cmp-nana, CMP Sialic acid, CMP-Neu5Ac, CMP-N-acetylneuraminate
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C20H31N4O16P |
| Molecular Weight | 614.1473 g/mol |
| XLogP | -6.7 |
| Topological Polar Surface Area (TPSA) | 321.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 11 |
| Exact Mass | 614.1473 Da |
| Heavy Atoms | 41 |
| Complexity | 1120.0 |
| SMILES | CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)O |
| InChIKey | TXCIAUNLDRJGJZ-BILDWYJOSA-N |
The XLogP value of -6.7 indicates that CMP-Neu5Ac is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 321.0 Ų indicates high polarity, suggesting CMP-Neu5Ac may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CMP-Neu5Ac has 10 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of CMP-Neu5Ac is 1007117-62-5.
The molecular formula of CMP-Neu5Ac is C20H31N4O16P.
The molecular weight of CMP-Neu5Ac is 614.1473 g/mol.
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