TL;DR: D-Glucose, 2-amino-2-deoxy-3-O-octyl-, hydrochloride (CAS 131690-25-0) is a chemical compound with molecular formula C14H30ClNO5 and molecular weight 327.18124 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3R,4R,5R)-2-amino-4,5,6-trihydroxy-3-octoxyhexanal;hydrochloride
Also Known As: D-Glucose, 2-amino-2-deoxy-3-O-octyl-, hydrochloride, 2-amino-2-deoxy-3-o-octyl-d-glucose hydrochloride(1:1), 2-Amino-2-deoxy-3-O-octylhexose--hydrogen chloride (1/1), 2-Amino-2-deoxy-3-O-octyl-D-glucose--hydrogen chloride (1/1), (2R,3R,4R,5R)-2-amino-4,5,6-trihydroxy-3-octoxy-hexanal Hydrochloride
| Molecular Formula | C14H30ClNO5 |
| Molecular Weight | 327.18124 g/mol |
| XLogP | 0.3942 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 327.18124 Da |
| Heavy Atoms | 21 |
| Complexity | 240.0 |
| SMILES | CCCCCCCCO[C@H]([C@H](C=O)N)[C@@H]([C@@H](CO)O)O.Cl |
| InChIKey | RDMCGPUZVFQLHS-PKJCYYJESA-N |
The XLogP value of 0.3942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for D-Glucose, 2-amino-2-deoxy-3-O-octyl-, hydrochloride. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for D-Glucose, 2-amino-2-deoxy-3-O-octyl-, hydrochloride. Following Lipinski's Rule of Five, D-Glucose, 2-amino-2-deoxy-3-O-octyl-, hydrochloride has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of D-Glucose, 2-amino-2-deoxy-3-O-octyl-, hydrochloride is 131690-25-0.
The molecular formula of D-Glucose, 2-amino-2-deoxy-3-O-octyl-, hydrochloride is C14H30ClNO5.
The molecular weight of D-Glucose, 2-amino-2-deoxy-3-O-octyl-, hydrochloride is 327.18124 g/mol.
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