Heptakis(3-O-acetyl-2 6-DI-O-methyl)-
TL;DR: Heptakis(3-O-acetyl-2 6-DI-O-methyl)- (CAS 131889-29-7) is a chemical compound with molecular formula C70H112O42 and molecular weight 1624.66 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[38,40,42,44,46,48-hexaacetyloxy-37,39,41,43,45,47,49-heptamethoxy-5,10,15,20,25,30,35-heptakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-36-yl] acetate
Also Known As: HEPTAKIS(3-O-ACETYL-2 6-DI-O-METHYL)-, J1.773.221H, J1.819.243H, (2R,4R,5S,7R,9R,10S,12R,14R,15S,17R,19R,20S,22R,24R,25S,27R,29R,30S,32R,34R,35S,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-4,9,14,19,24,29,34-Heptakis(methoxymethyl)-36,38,40,42,44,46,48-heptaacetoxy-37,39,41,43,45,47,49-heptamethoxy-2,5:7,10:12,15:17,20:22,25:27,30:32,35-heptaethano-1,3,6,8,11,13,16,18,21,23,26,28,31,33-tetradecaoxacyclopentatriacontane, 1-O,4-[(2-O,6-O-Dimethyl-3-O-acetyl-4-deoxy-alpha-D-glucopyranose-4,1-O-diyl)(2-O,6-O-dimethyl-3-O-acetyl-4-deoxy-alpha-D-glucopyranose-4,1-O-diyl)(2-O,6-O-dimethyl-3-O-acetyl-4-deoxy-alpha-D-glucopyranose-4,1-O-diyl)(2-O,6-O-dimethyl-3-O-acetyl-4-deoxy-alpha-D-glucopyranose-4,1-O-diyl)(2-O,6-O-dimethyl-3-O-acetyl-4-deoxy-alpha-D-glucopyranose-4,1-O-diyl)(2-O,6-O-dimethyl-3-O-acetyl-4-deoxy-alpha-D-glucopyranose-4,1-O-diyl)]-2-O,6-O-dimethyl-3-O-acetyl-4-deoxy-alpha-D-glucopyranose
| Molecular Formula | C70H112O42 |
|---|---|
| Molecular Weight | 1624.66 g/mol |
| LogP | -2.0776 |
| Topological Polar Surface Area | 442.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 42 |
| Rotatable Bonds | 28 |
| Exact Mass | 1624.6628 |
| Heavy Atoms | 112 |
| Complexity | 2406.8342 |
Chemical Identifiers
| CAS Number | 131889-29-7 |
|---|---|
| SMILES | CC(=O)OC1C2C(OC(C1OC)OC3C(OC(C(C3OC(=O)C)OC)OC4C(OC(C(C4OC(=O)C)OC)OC5C(OC(C(C5OC(=O)C)OC)OC6C(OC(C(C6OC(=O)C)OC)OC7C(OC(C(C7OC(=O)C)OC)OC8C(OC(O2)C(C8OC(=O)C)OC)COC)COC)COC)COC)COC)COC)COC |
Product Overview
Heptakis(3-O-acetyl-2 6-DI-O-methyl)- (CAS 131889-29-7), with molecular formula C70H112O42 and molecular weight 1624.66 g/mol. IUPAC: [38,40,42,44,46,48-hexaacetyloxy-37,39,41,43,45,47,49-heptamethoxy-5,10,15,20,25,30,35-heptakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-36-yl] acetate.
Chemical Property Profile of Heptakis(3-O-acetyl-2 6-DI-O-methyl)-
Property Insights of Heptakis(3-O-acetyl-2 6-DI-O-methyl)-
The XLogP value of -2.0776 indicates that Heptakis(3-O-acetyl-2 6-DI-O-methyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 442.54 Ų indicates high polarity, suggesting Heptakis(3-O-acetyl-2 6-DI-O-methyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Heptakis(3-O-acetyl-2 6-DI-O-methyl)- has 0 hydrogen bond donor(s) and 42 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Heptakis(3-O-acetyl-2 6-DI-O-methyl)-?
The CAS number of Heptakis(3-O-acetyl-2 6-DI-O-methyl)- is 131889-29-7.
What is the molecular formula of Heptakis(3-O-acetyl-2 6-DI-O-methyl)-?
The molecular formula of Heptakis(3-O-acetyl-2 6-DI-O-methyl)- is C70H112O42.
What is the molecular weight of Heptakis(3-O-acetyl-2 6-DI-O-methyl)-?
The molecular weight of Heptakis(3-O-acetyl-2 6-DI-O-methyl)- is 1624.66 g/mol.
Where can I buy Heptakis(3-O-acetyl-2 6-DI-O-methyl)-?
You can request a quote for Heptakis(3-O-acetyl-2 6-DI-O-methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptakis(3-O-acetyl-2 6-DI-O-methyl)-?
Yes, KEHONG BIO provides custom synthesis services for Heptakis(3-O-acetyl-2 6-DI-O-methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.