TL;DR: 16-Gghld (CAS 130994-78-4) is a chemical compound with molecular formula C32H54O14 and molecular weight 662.3514 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-6-(acetyloxymethyl)-4,5-dihydroxy-2-[(E)-16-oxohexadec-3-en-2-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Also Known As: 16-Gghld, Lactonic Sophorolipid, 16-(2'-O-Glucopyranosylglucopyranosyloxy)hexadecanoic acid 1',4''-lactone 6',6''-diacetate, Benzene, 5-bromo-1,3-difluoro-2-(1-methylethoxy)-, [(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-6-(acetyloxymethyl)-4,5-dihydroxy-2-[(E)-16-oxohexadec-3-en-2-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
| Molecular Formula | C32H54O14 |
| Molecular Weight | 662.3514 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 208.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 23 |
| Exact Mass | 662.3514 Da |
| Heavy Atoms | 46 |
| Complexity | 915.0 |
| SMILES | CC(/C=C/CCCCCCCCCCCC=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)O)O)O |
| InChIKey | VPRCGUTXCASMMQ-VYTSRIRFSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 16-Gghld. The TPSA of 208.0 Ų indicates high polarity, suggesting 16-Gghld may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 16-Gghld has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 16-Gghld is 130994-78-4.
The molecular formula of 16-Gghld is C32H54O14.
The molecular weight of 16-Gghld is 662.3514 g/mol.
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