Raffinose undecaacetate
TL;DR: Raffinose undecaacetate (CAS 6462-12-0) is a chemical compound with molecular formula C40H54O27 and molecular weight 966.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,5-triacetyloxy-6-[[3,4,5-triacetyloxy-6-[3,4-diacetyloxy-2,5-bis(acetyloxymethyl)oxolan-2-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate
Also Known As: Raffinose undecaacetate, D-Raffinoseundecaacetate, raffinose peracetate, 4-pyridazinecarboxylicacid, EINECS 229-181-6
| Molecular Formula | C40H54O27 |
|---|---|
| Molecular Weight | 966.29 g/mol |
| LogP | -1.2926 |
| Topological Polar Surface Area | 335.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 27 |
| Rotatable Bonds | 19 |
| Exact Mass | 966.2852 |
| Heavy Atoms | 67 |
| Complexity | 1863.9257 |
Chemical Identifiers
| CAS Number | 6462-12-0 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
Product Overview
Raffinose undecaacetate (CAS 6462-12-0), with molecular formula C40H54O27 and molecular weight 966.29 g/mol. IUPAC: [3,4,5-triacetyloxy-6-[[3,4,5-triacetyloxy-6-[3,4-diacetyloxy-2,5-bis(acetyloxymethyl)oxolan-2-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate.
Chemical Property Profile of Raffinose undecaacetate
Property Insights of Raffinose undecaacetate
The XLogP value of -1.2926 indicates that Raffinose undecaacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 335.45 Ų indicates high polarity, suggesting Raffinose undecaacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Raffinose undecaacetate has 0 hydrogen bond donor(s) and 27 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Raffinose undecaacetate?
The CAS number of Raffinose undecaacetate is 6462-12-0.
What is the molecular formula of Raffinose undecaacetate?
The molecular formula of Raffinose undecaacetate is C40H54O27.
What is the molecular weight of Raffinose undecaacetate?
The molecular weight of Raffinose undecaacetate is 966.29 g/mol.
Where can I buy Raffinose undecaacetate?
You can request a quote for Raffinose undecaacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Raffinose undecaacetate?
Yes, KEHONG BIO provides custom synthesis services for Raffinose undecaacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.