TL;DR: 4,6-O-Benzylidene-3-O-tert-butyldimethylsilyl-1-tributylstannylglucal (CAS 130912-41-3) is a chemical compound with molecular formula C31H54O4SiSn and molecular weight 638.2813 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(4aR,8R,8aR)-2-phenyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane
Also Known As: 4,6-Bbstsg, 4,6-O-Benzylidene-3-O-tert-butyldimethylsilyl-1-tributylstannylglucal, [(4aR,8R,8aR)-2-phenyl-6-tributylstannyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane, 4,6-O-benzylidene-3-O-tert-butyldimethylsilyl-1-tri-n-butylstannyl-D-glucal
| Molecular Formula | C31H54O4SiSn |
| Molecular Weight | 638.2813 g/mol |
| XLogP | 9.162 |
| Topological Polar Surface Area (TPSA) | 36.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 638.2813 Da |
| Heavy Atoms | 37 |
| Complexity | 691.0 |
| SMILES | CCCC[Sn](CCCC)(CCCC)C1=C[C@H]([C@H]2[C@H](O1)COC(O2)C3=CC=CC=C3)O[Si](C)(C)C(C)(C)C |
| InChIKey | XVSHWEPXTRFKGS-XUEHPNOFSA-N |
The XLogP value of 9.162 indicates that 4,6-O-Benzylidene-3-O-tert-butyldimethylsilyl-1-tributylstannylglucal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.9 Ų, 4,6-O-Benzylidene-3-O-tert-butyldimethylsilyl-1-tributylstannylglucal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-O-Benzylidene-3-O-tert-butyldimethylsilyl-1-tributylstannylglucal has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4,6-O-Benzylidene-3-O-tert-butyldimethylsilyl-1-tributylstannylglucal is 130912-41-3.
The molecular formula of 4,6-O-Benzylidene-3-O-tert-butyldimethylsilyl-1-tributylstannylglucal is C31H54O4SiSn.
The molecular weight of 4,6-O-Benzylidene-3-O-tert-butyldimethylsilyl-1-tributylstannylglucal is 638.2813 g/mol.
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