TL;DR: [3,4-diacetyloxy-6-methoxy-5-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate (CAS 101072-37-1) is a chemical compound with molecular formula C27H38O18 and molecular weight 650.2058 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3,4-diacetyloxy-6-methoxy-5-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
Also Known As: [3,4-diacetyloxy-6-methoxy-5-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate|Acetic acid (2R,3S,4S,5R,6R)-3-acetoxy-2-acetoxymethyl-6-methoxy-5-((2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-4-yl ester|methyl 3,4,6-tri-O-acetyl-2-O-(2,3,4,6-tetra-O-acetyl-|A-D-glucopyranosyl)-|A-D-galactopyranoside|NSC231826
| Molecular Formula | C27H38O18 |
| Molecular Weight | 650.2058 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 221.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 19 |
| Exact Mass | 650.2058 Da |
| Heavy Atoms | 45 |
| Complexity | 1110.0 |
| SMILES | CC(=O)OCC1C(C(C(C(O1)OC)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | SWVBBYOXGRDAEU-UHFFFAOYSA-N |
The XLogP value of -0.7 indicates that [3,4-diacetyloxy-6-methoxy-5-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 221.0 Ų indicates high polarity, suggesting [3,4-diacetyloxy-6-methoxy-5-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [3,4-diacetyloxy-6-methoxy-5-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate has 0 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of [3,4-diacetyloxy-6-methoxy-5-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate is 101072-37-1.
The molecular formula of [3,4-diacetyloxy-6-methoxy-5-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate is C27H38O18.
The molecular weight of [3,4-diacetyloxy-6-methoxy-5-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate is 650.2058 g/mol.
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