Sucrose diacetate hexaisobutyrate
TL;DR: Sucrose diacetate hexaisobutyrate (CAS 27216-37-1) 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.
[(2S,3S,4R,5R)-5-(acetyloxymethyl)-2-[(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 diacetate hexaisobutyrate, Sucrose acetoisobutyrate, SUCROSE ACETATE ISOBUTYRATE, Saccharose acetate isobutyrate
| Molecular Formula | C40H62O19 |
|---|---|
| Molecular Weight | 846.39 g/mol |
| LogP | 2.9874 |
| Topological Polar Surface Area | 238.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 19 |
| Exact Mass | 846.38855 |
| Heavy Atoms | 59 |
| Complexity | 1501.3873 |
Chemical Identifiers
| CAS Number | 27216-37-1 |
|---|---|
| SMILES | CC(C)C(=O)OC[C@@]1([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C(C)C)OC(=O)C(C)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 |
Product Overview
Sucrose diacetate hexaisobutyrate (CAS 27216-37-1), with molecular formula C40H62O19 and molecular weight 846.39 g/mol. IUPAC: [(2S,3S,4R,5R)-5-(acetyloxymethyl)-2-[(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 Sucrose diacetate hexaisobutyrate
Property Insights of Sucrose diacetate hexaisobutyrate
The XLogP value of 2.9874 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sucrose diacetate hexaisobutyrate. The TPSA of 238.09 Ų indicates high polarity, suggesting Sucrose diacetate hexaisobutyrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sucrose diacetate hexaisobutyrate 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 Sucrose diacetate hexaisobutyrate?
The CAS number of Sucrose diacetate hexaisobutyrate is 27216-37-1.
What is the molecular formula of Sucrose diacetate hexaisobutyrate?
The molecular formula of Sucrose diacetate hexaisobutyrate is C40H62O19.
What is the molecular weight of Sucrose diacetate hexaisobutyrate?
The molecular weight of Sucrose diacetate hexaisobutyrate is 846.39 g/mol.
Where can I buy Sucrose diacetate hexaisobutyrate?
You can request a quote for Sucrose diacetate hexaisobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sucrose diacetate hexaisobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Sucrose diacetate hexaisobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.