3,6-Anhydro-1,4-dideoxy-4-methyl-5-O-methylhex-2-ulose
TL;DR: 3,6-Anhydro-1,4-dideoxy-4-methyl-5-O-methylhex-2-ulose (CAS 81910-05-6) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-methoxy-3-methyloxolan-2-yl)ethanone
Also Known As: Pyrrolomycin D, Methyl botryodiplodin, 2-Methoxy-3-methyl-4-acetyltetrahydrofuran, 1-(4-methoxy-3-methyloxolan-2-yl)ethanone, 2-Acetyl-4-methoxy-3-methyl-tetrahydrofuran
Technical Specifications
| Molecular Formula | C8H14O3 |
| Molecular Weight | 158.0943 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.0943 Da |
| Heavy Atoms | 11 |
| Complexity | 155.0 |
| SMILES | CC1C(COC1C(=O)C)OC |
| InChIKey | WARLUHIUVCVFPU-UHFFFAOYSA-N |
Chemical Property Profile of 3,6-Anhydro-1,4-dideoxy-4-methyl-5-O-methylhex-2-ulose
Property Insights of 3,6-Anhydro-1,4-dideoxy-4-methyl-5-O-methylhex-2-ulose
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Anhydro-1,4-dideoxy-4-methyl-5-O-methylhex-2-ulose. With a topological polar surface area (TPSA) of 35.5 Ų, 3,6-Anhydro-1,4-dideoxy-4-methyl-5-O-methylhex-2-ulose exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-Anhydro-1,4-dideoxy-4-methyl-5-O-methylhex-2-ulose has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,6-Anhydro-1,4-dideoxy-4-methyl-5-O-methylhex-2-ulose?
The CAS number of 3,6-Anhydro-1,4-dideoxy-4-methyl-5-O-methylhex-2-ulose is 81910-05-6.
What is the molecular formula of 3,6-Anhydro-1,4-dideoxy-4-methyl-5-O-methylhex-2-ulose?
The molecular formula of 3,6-Anhydro-1,4-dideoxy-4-methyl-5-O-methylhex-2-ulose is C8H14O3.
What is the molecular weight of 3,6-Anhydro-1,4-dideoxy-4-methyl-5-O-methylhex-2-ulose?
The molecular weight of 3,6-Anhydro-1,4-dideoxy-4-methyl-5-O-methylhex-2-ulose is 158.0943 g/mol.
Where can I buy 3,6-Anhydro-1,4-dideoxy-4-methyl-5-O-methylhex-2-ulose?
You can request a quote for 3,6-Anhydro-1,4-dideoxy-4-methyl-5-O-methylhex-2-ulose directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,6-Anhydro-1,4-dideoxy-4-methyl-5-O-methylhex-2-ulose?
Yes, CoreyChem provides custom synthesis services for 3,6-Anhydro-1,4-dideoxy-4-methyl-5-O-methylhex-2-ulose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.