TL;DR: Hexadecyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranoside (CAS 115414-47-6) is a chemical compound with molecular formula C30H53NO9 and molecular weight 571.372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5-acetamido-3,4-diacetyloxy-6-hexadecoxyoxan-2-yl)methyl acetate
Also Known As: ChemDiv1_019120, Hexadecyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranoside, (5-acetamido-3,4-diacetyloxy-6-hexadecoxyoxan-2-yl)methyl acetate, [3,4-BIS(ACETYLOXY)-5-ACETAMIDO-6-(HEXADECYLOXY)OXAN-2-YL]METHYL ACETATE, Hexadecyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-b-D-glucopyranoside
| Molecular Formula | C30H53NO9 |
| Molecular Weight | 571.372 g/mol |
| XLogP | 6.9 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 24 |
| Exact Mass | 571.372 Da |
| Heavy Atoms | 40 |
| Complexity | 745.0 |
| SMILES | CCCCCCCCCCCCCCCCOC1C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C |
| InChIKey | IQLBKMQSMVEUHD-UHFFFAOYSA-N |
The XLogP value of 6.9 indicates that Hexadecyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranoside is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexadecyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranoside. Following Lipinski's Rule of Five, Hexadecyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranoside has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Hexadecyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranoside is 115414-47-6.
The molecular formula of Hexadecyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranoside is C30H53NO9.
The molecular weight of Hexadecyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranoside is 571.372 g/mol.
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