TL;DR: alpha-D-Xylofuranose, 1,2:3,5-bis-O-(1-methylethylidene)- (CAS 20881-04-3) is a chemical compound with molecular formula C11H18O5 and molecular weight 230.11542 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,2R,6R,8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
Also Known As: diacetone-d-xylose, 1,2:3,5-Di-O-isopropylidene-alpha-D-xylofuranose, 1,2:3,5-Di-O-isopropylidene-a-D-xylofuranose, alpha-D-Xylofuranose, 1,2:3,5-bis-O-(1-methylethylidene)-, 1,2:3,5-di-O-Isopropylidene-D-xylofuranose
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H18O5 |
| Molecular Weight | 230.11542 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 46.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 230.11542 Da |
| Heavy Atoms | 16 |
| Complexity | 301.0 |
| SMILES | CC1(OC[C@@H]2[C@H](O1)[C@@H]3[C@H](O2)OC(O3)(C)C)C |
| InChIKey | NKZDPBSWYPINNF-BZNPZCIMSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-D-Xylofuranose, 1,2:3,5-bis-O-(1-methylethylidene)-. With a topological polar surface area (TPSA) of 46.2 Ų, alpha-D-Xylofuranose, 1,2:3,5-bis-O-(1-methylethylidene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-D-Xylofuranose, 1,2:3,5-bis-O-(1-methylethylidene)- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of alpha-D-Xylofuranose, 1,2:3,5-bis-O-(1-methylethylidene)- is 20881-04-3.
The molecular formula of alpha-D-Xylofuranose, 1,2:3,5-bis-O-(1-methylethylidene)- is C11H18O5.
The molecular weight of alpha-D-Xylofuranose, 1,2:3,5-bis-O-(1-methylethylidene)- is 230.11542 g/mol.
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