TL;DR: Fmoc-Ser(GalNAc(Ac)-beta-D)-OH (CAS 120173-57-1) is a chemical compound with molecular formula C32H36N2O13 and molecular weight 656.22174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Also Known As: Fmoc-Ser(GalNAc(Ac)3-alpha-D)-OH, Fmoc-Ser(GalNAc(Ac)-beta-D)-OH, Fmoc-Ser(GlcNAc(Ac)-beta-D)-OH, Fmoc-L-Ser(, A-D-GlcNAc(Ac)3)-OH
| Molecular Formula | C32H36N2O13 |
| Molecular Weight | 656.22174 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 202.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 16 |
| Exact Mass | 656.22174 Da |
| Heavy Atoms | 47 |
| Complexity | 1140.0 |
| SMILES | CC(=O)NC1C(C(C(OC1OCC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)COC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | ORICVOOXZDVFIP-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Fmoc-Ser(GalNAc(Ac)-beta-D)-OH. The TPSA of 202.0 Ų indicates high polarity, suggesting Fmoc-Ser(GalNAc(Ac)-beta-D)-OH may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Fmoc-Ser(GalNAc(Ac)-beta-D)-OH has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Fmoc-Ser(GalNAc(Ac)-beta-D)-OH is 120173-57-1.
The molecular formula of Fmoc-Ser(GalNAc(Ac)-beta-D)-OH is C32H36N2O13.
The molecular weight of Fmoc-Ser(GalNAc(Ac)-beta-D)-OH is 656.22174 g/mol.
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