乙酸異丁酸蔗糖酯
TL;DR: 乙酸異丁酸蔗糖酯 (CAS 126-13-6) is a chemical compound with molecular formula C40H62O19 and molecular weight 846.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酸異丁酸蔗糖酯
[(2R,3R,4S,5S)-5-(acetyloxymethyl)-5-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,4,5-tris(2-methylpropanoyloxy)oxan-2-yl]oxy-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
Also Known As: SAIB, SUCROSE ACETATE ISOBUTYRATE, Sucrose acetoisobutyrate, SAIB 100S, Saccharose acetate isobutyrate
| Molecular Formula | C40H62O19 |
|---|---|
| Molecular Weight | 846.39 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 238.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 27 |
| Exact Mass | 846.38855 |
| Heavy Atoms | 59 |
| Complexity | 1500.0 |
| Density | 1.146 @ 25 °C/25 °C |
Chemical Identifiers
| CAS Number | 126-13-6 |
|---|---|
| SMILES | CC(C)C(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(COC(=O)C)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C |
| InChIKey | UVGUPMLLGBCFEJ-SWTLDUCYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙酸異丁酸蔗糖酯 (CAS 126-13-6), with molecular formula C40H62O19 and molecular weight 846.39 g/mol. IUPAC: [(2R,3R,4S,5S)-5-(acetyloxymethyl)-5-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,4,5-tris(2-methylpropanoyloxy)oxan-2-yl]oxy-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate.
Chemical Property Profile of 乙酸異丁酸蔗糖酯
Property Insights of 乙酸異丁酸蔗糖酯
The XLogP value of 5.3 indicates that 乙酸異丁酸蔗糖酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 238.0 Ų indicates high polarity, suggesting 乙酸異丁酸蔗糖酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 乙酸異丁酸蔗糖酯 has 0 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 乙酸異丁酸蔗糖酯?
The CAS number of 乙酸異丁酸蔗糖酯 is 126-13-6.
What is the molecular formula of 乙酸異丁酸蔗糖酯?
The molecular formula of 乙酸異丁酸蔗糖酯 is C40H62O19.
What is the molecular weight of 乙酸異丁酸蔗糖酯?
The molecular weight of 乙酸異丁酸蔗糖酯 is 846.39 g/mol.
Where can I buy 乙酸異丁酸蔗糖酯?
You can request a quote for 乙酸異丁酸蔗糖酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酸異丁酸蔗糖酯?
Yes, KEHONG BIO provides custom synthesis services for 乙酸異丁酸蔗糖酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.