isobutyl 2,3,4-tri-O-acetyl-1-thio-beta-xylopyranoside
TL;DR: isobutyl 2,3,4-tri-O-acetyl-1-thio-beta-xylopyranoside (CAS 102255-04-9) is a chemical compound with molecular formula C15H24O7S and molecular weight 348.12427 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S,3R,4S,5R)-3-acetyloxy-2-acetyloxysulfanyl-5-(2-methylpropyl)oxan-4-yl] acetate
Also Known As: Itatxp, Isobutyl 2,3,4-tri-O-acetyl-1-thio-beta-xylopyranoside, [(2S,3R,4S,5R)-3-acetyloxy-2-acetyloxysulfanyl-5-(2-methylpropyl)oxan-4-yl] acetate, (2S,3R,4S,5R)-2-[(Acetyloxy)sulfanyl]-5-(2-methylpropyl)oxane-3,4-diyl diacetate
Technical Specifications
| Molecular Formula | C15H24O7S |
| Molecular Weight | 348.12427 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 348.12427 Da |
| Heavy Atoms | 23 |
| Complexity | 438.0 |
| SMILES | CC(C)C[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)SOC(=O)C |
| InChIKey | MIBIQVFTNXEIMM-BARDWOONSA-N |
Chemical Property Profile of isobutyl 2,3,4-tri-O-acetyl-1-thio-beta-xylopyranoside
Property Insights of isobutyl 2,3,4-tri-O-acetyl-1-thio-beta-xylopyranoside
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for isobutyl 2,3,4-tri-O-acetyl-1-thio-beta-xylopyranoside. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for isobutyl 2,3,4-tri-O-acetyl-1-thio-beta-xylopyranoside. Following Lipinski's Rule of Five, isobutyl 2,3,4-tri-O-acetyl-1-thio-beta-xylopyranoside has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of isobutyl 2,3,4-tri-O-acetyl-1-thio-beta-xylopyranoside?
The CAS number of isobutyl 2,3,4-tri-O-acetyl-1-thio-beta-xylopyranoside is 102255-04-9.
What is the molecular formula of isobutyl 2,3,4-tri-O-acetyl-1-thio-beta-xylopyranoside?
The molecular formula of isobutyl 2,3,4-tri-O-acetyl-1-thio-beta-xylopyranoside is C15H24O7S.
What is the molecular weight of isobutyl 2,3,4-tri-O-acetyl-1-thio-beta-xylopyranoside?
The molecular weight of isobutyl 2,3,4-tri-O-acetyl-1-thio-beta-xylopyranoside is 348.12427 g/mol.
Where can I buy isobutyl 2,3,4-tri-O-acetyl-1-thio-beta-xylopyranoside?
You can request a quote for isobutyl 2,3,4-tri-O-acetyl-1-thio-beta-xylopyranoside directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for isobutyl 2,3,4-tri-O-acetyl-1-thio-beta-xylopyranoside?
Yes, CoreyChem provides custom synthesis services for isobutyl 2,3,4-tri-O-acetyl-1-thio-beta-xylopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.