TL;DR: 2-Phthalimidolactosamine, Heptaacetate (Mixture of Isomers) (CAS 129647-37-6) is a chemical compound with molecular formula C34H39NO19 and molecular weight 765.2116 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4,6-diacetyloxy-5-(1,3-dioxoisoindol-2-yl)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
Also Known As: 2-Phthalimidolactosamine, Heptaacetate (Mixture of Isomers), [4,6-diacetyloxy-5-(1,3-dioxoisoindol-2-yl)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
| Molecular Formula | C34H39NO19 |
| Molecular Weight | 765.2116 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 249.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 19 |
| Exact Mass | 765.2116 Da |
| Heavy Atoms | 54 |
| Complexity | 1470.0 |
| SMILES | CC(=O)OCC1C(C(C(C(O1)OC(=O)C)N2C(=O)C3=CC=CC=C3C2=O)OC(=O)C)OC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | AOLPEHDFTRGREH-UHFFFAOYSA-N |
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phthalimidolactosamine, Heptaacetate (Mixture of Isomers). The TPSA of 249.0 Ų indicates high polarity, suggesting 2-Phthalimidolactosamine, Heptaacetate (Mixture of Isomers) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Phthalimidolactosamine, Heptaacetate (Mixture of Isomers) has 0 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-Phthalimidolactosamine, Heptaacetate (Mixture of Isomers) is 129647-37-6.
The molecular formula of 2-Phthalimidolactosamine, Heptaacetate (Mixture of Isomers) is C34H39NO19.
The molecular weight of 2-Phthalimidolactosamine, Heptaacetate (Mixture of Isomers) is 765.2116 g/mol.
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