Sucrose octaisobutyrate
TL;DR: Sucrose octaisobutyrate (CAS 102787-19-9) is a chemical compound with molecular formula C44H70O19 and molecular weight 902.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5R)-3,4-bis(2-methylpropanoyloxy)-2,5-bis(2-methylpropanoyloxymethyl)oxolan-2-yl]oxy-3,4,5-tris(2-methylpropanoyloxy)oxan-2-yl]methyl 2-methylpropanoate
Also Known As: Sucrose octaisobutyrate, Sucrose octa-isobutyrate, [(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5R)-3,4-bis(2-methylpropanoyloxy)-2,5-bis(2-methylpropanoyloxymethyl)oxolan-2-yl]oxy-3,4,5-tris(2-methylpropanoyloxy)oxan-2-yl]methyl 2-methylpropanoate, 1,3,4,6-Tetrakis-O-(2-methylpropanoyl)-beta-D-fructofuranosyl 2,3,4,6-tetrakis-O-(2-methylpropanoyl)-alpha-D-glucopyranoside, alpha-D-Glucopyranoside, 1,3,4,6-tetrakis-O-(2-methyl-1-oxopropyl)-beta-D-fructofuranosyl, tetrakis(2-methylpropanoate)
| Molecular Formula | C44H70O19 |
|---|---|
| Molecular Weight | 902.45 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 238.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 29 |
| Exact Mass | 902.4511 |
| Heavy Atoms | 63 |
| Complexity | 1600.0 |
Chemical Identifiers
| CAS Number | 102787-19-9 |
|---|---|
| SMILES | CC(C)C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)COC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C |
| InChIKey | QSOGLNCCKWUXRN-CIGKAFDASA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sucrose octaisobutyrate (CAS 102787-19-9), with molecular formula C44H70O19 and molecular weight 902.45 g/mol. IUPAC: [(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5R)-3,4-bis(2-methylpropanoyloxy)-2,5-bis(2-methylpropanoyloxymethyl)oxolan-2-yl]oxy-3,4,5-tris(2-methylpropanoyloxy)oxan-2-yl]methyl 2-methylpropanoate.
Chemical Property Profile of Sucrose octaisobutyrate
Property Insights of Sucrose octaisobutyrate
The XLogP value of 7.4 indicates that Sucrose octaisobutyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 238.0 Ų indicates high polarity, suggesting Sucrose octaisobutyrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sucrose octaisobutyrate 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 octaisobutyrate?
The CAS number of Sucrose octaisobutyrate is 102787-19-9.
What is the molecular formula of Sucrose octaisobutyrate?
The molecular formula of Sucrose octaisobutyrate is C44H70O19.
What is the molecular weight of Sucrose octaisobutyrate?
The molecular weight of Sucrose octaisobutyrate is 902.45 g/mol.
Where can I buy Sucrose octaisobutyrate?
You can request a quote for Sucrose octaisobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sucrose octaisobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Sucrose octaisobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.