TL;DR: Fmoc-Gla(OtBu)2-OH (CAS 111662-65-8) is a chemical compound with molecular formula C29H35NO8 and molecular weight 525.23627 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopentanoic acid
Also Known As: Fmoc-Gla(OtBu)2-OH, Fmoc-D-Gla(otbu)2-OH, Fmoc-L-Gla(OtBu)2-OH, N-Fmoc-d,l-gamma-carboxyglutamic acid gamma,gamma-di-t-butyl ester, N-Fmoc-?-carboxyglutamic Acid ?,?-Di-t-butyl Ester
| Molecular Formula | C29H35NO8 |
| Molecular Weight | 525.23627 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 525.23627 Da |
| Heavy Atoms | 38 |
| Complexity | 823.0 |
| SMILES | CC(C)(C)OC(=O)C(CC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)OC(C)(C)C |
| InChIKey | XJRUHYXXHXECDI-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that Fmoc-Gla(OtBu)2-OH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Fmoc-Gla(OtBu)2-OH. Following Lipinski's Rule of Five, Fmoc-Gla(OtBu)2-OH has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Fmoc-Gla(OtBu)2-OH is 111662-65-8.
The molecular formula of Fmoc-Gla(OtBu)2-OH is C29H35NO8.
The molecular weight of Fmoc-Gla(OtBu)2-OH is 525.23627 g/mol.
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