Methyl 1,3,4,5,7-penta-O-acetylhept-2-ulopyranoside
TL;DR: Methyl 1,3,4,5,7-penta-O-acetylhept-2-ulopyranoside (CAS 7212-40-0) is a chemical compound with molecular formula C18H26O12 and molecular weight 434.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,5-triacetyloxy-6-(acetyloxymethyl)-6-methoxyoxan-2-yl]methyl acetate
Also Known As: Methyl 1,3,4,5,7-penta-O-acetylhept-2-ulopyranoside, Methyl pentaacetyl-.alpha.-d-gluco-heptuloside, Methyl 1,3,4,5,7-penta-O-acetylhept-2-ulopyranoside #, [3,4,5-triacetyloxy-6-(acetyloxymethyl)-6-methoxyoxan-2-yl]methyl acetate
| Molecular Formula | C18H26O12 |
|---|---|
| Molecular Weight | 434.14 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 434.14243 |
| Heavy Atoms | 30 |
| Complexity | 674.0 |
Chemical Identifiers
| CAS Number | 7212-40-0 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(C(O1)(COC(=O)C)OC)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | OVJNDRJMHQGDPA-UHFFFAOYSA-N |
Product Overview
Methyl 1,3,4,5,7-penta-O-acetylhept-2-ulopyranoside (CAS 7212-40-0), with molecular formula C18H26O12 and molecular weight 434.14 g/mol. IUPAC: [3,4,5-triacetyloxy-6-(acetyloxymethyl)-6-methoxyoxan-2-yl]methyl acetate.
Chemical Property Profile of Methyl 1,3,4,5,7-penta-O-acetylhept-2-ulopyranoside
Property Insights of Methyl 1,3,4,5,7-penta-O-acetylhept-2-ulopyranoside
The XLogP value of -0.6 indicates that Methyl 1,3,4,5,7-penta-O-acetylhept-2-ulopyranoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 150.0 Ų indicates high polarity, suggesting Methyl 1,3,4,5,7-penta-O-acetylhept-2-ulopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 1,3,4,5,7-penta-O-acetylhept-2-ulopyranoside has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 1,3,4,5,7-penta-O-acetylhept-2-ulopyranoside?
The CAS number of Methyl 1,3,4,5,7-penta-O-acetylhept-2-ulopyranoside is 7212-40-0.
What is the molecular formula of Methyl 1,3,4,5,7-penta-O-acetylhept-2-ulopyranoside?
The molecular formula of Methyl 1,3,4,5,7-penta-O-acetylhept-2-ulopyranoside is C18H26O12.
What is the molecular weight of Methyl 1,3,4,5,7-penta-O-acetylhept-2-ulopyranoside?
The molecular weight of Methyl 1,3,4,5,7-penta-O-acetylhept-2-ulopyranoside is 434.14 g/mol.
Where can I buy Methyl 1,3,4,5,7-penta-O-acetylhept-2-ulopyranoside?
You can request a quote for Methyl 1,3,4,5,7-penta-O-acetylhept-2-ulopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1,3,4,5,7-penta-O-acetylhept-2-ulopyranoside?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1,3,4,5,7-penta-O-acetylhept-2-ulopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.