TL;DR: GlyTouCan:G29680OZ (CAS 16789-38-1) is a chemical compound with molecular formula C38H65NO29 and molecular weight 999.3642 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(2R,3R,4R,5S,6R)-2-[(2R,3S,4R,5R)-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-1-oxo-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Also Known As: Lacto-N-difucohexaose I, Lacto-N-difucohexaose, LNDFH-I, LND I, LND 1
| Molecular Formula | C38H65NO29 |
| Molecular Weight | 999.3642 g/mol |
| XLogP | -10.4 |
| Topological Polar Surface Area (TPSA) | 482.0 Ų |
| Hydrogen Bond Donors | 18 |
| Hydrogen Bond Acceptors | 29 |
| Rotatable Bonds | 19 |
| Exact Mass | 999.3642 Da |
| Heavy Atoms | 68 |
| Complexity | 1580.0 |
| SMILES | C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2O[C@H]([C@@H](CO)O[C@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)C)O)O)O)[C@@H]([C@H](C=O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)C)CO)O)O)O)O)O |
| InChIKey | PSJVAGXZRSPYJB-UUXGNFCPSA-N |
The XLogP value of -10.4 indicates that GlyTouCan:G29680OZ is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 482.0 Ų indicates high polarity, suggesting GlyTouCan:G29680OZ may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, GlyTouCan:G29680OZ has 18 hydrogen bond donor(s) and 29 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of GlyTouCan:G29680OZ is 16789-38-1.
The molecular formula of GlyTouCan:G29680OZ is C38H65NO29.
The molecular weight of GlyTouCan:G29680OZ is 999.3642 g/mol.
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