TL;DR: Sialyl-Le(a) oligosaccharide (CAS 138257-79-1) is a chemical compound with molecular formula C41H70N2O32 and molecular weight 1102.3911 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[3-acetamido-2-[3,5-dihydroxy-2-(hydroxymethyl)-6-(1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxyoxan-4-yl]oxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-amino-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
Also Known As: Sialyl-Le(a) oligosaccharide, Sialylated lacto-N-fucopentaose II, Neuacalpha2-3Galbeta1-4-fucalpha1-glcnacbeta1-3Galbeta1-4Glc, 5-amino-3,5-dideoxynon-2-ulopyranonosyl-(2-, 2-[2-[3-acetamido-2-[3,5-dihydroxy-2-(hydroxymethyl)-6-(1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxyoxan-4-yl]oxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-amino-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
| Molecular Formula | C41H70N2O32 |
| Molecular Weight | 1102.3911 g/mol |
| XLogP | -14.9 |
| Topological Polar Surface Area (TPSA) | 566.0 Ų |
| Hydrogen Bond Donors | 21 |
| Hydrogen Bond Acceptors | 33 |
| Rotatable Bonds | 23 |
| Exact Mass | 1102.3911 Da |
| Heavy Atoms | 75 |
| Complexity | 1820.0 |
| SMILES | CC1C(C(C(C(O1)OC2C(OC(C(C2OC3C(C(C(C(O3)CO)O)OC4(CC(C(C(O4)C(C(CO)O)O)N)O)C(=O)O)O)NC(=O)C)OC5C(C(OC(C5O)OC(C(CO)O)C(C(C=O)O)O)CO)O)CO)O)O)O |
| InChIKey | GWBANRIMYAAKQB-UHFFFAOYSA-N |
The XLogP value of -14.9 indicates that Sialyl-Le(a) oligosaccharide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 566.0 Ų indicates high polarity, suggesting Sialyl-Le(a) oligosaccharide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sialyl-Le(a) oligosaccharide has 21 hydrogen bond donor(s) and 33 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Sialyl-Le(a) oligosaccharide is 138257-79-1.
The molecular formula of Sialyl-Le(a) oligosaccharide is C41H70N2O32.
The molecular weight of Sialyl-Le(a) oligosaccharide is 1102.3911 g/mol.
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