Myoinositol 12-O, C-methylene-1-pentaacetate
TL;DR: Myoinositol 12-O, C-methylene-1-pentaacetate (CAS 5348-95-8) is a chemical compound with molecular formula C17H22O11 and molecular weight 402.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,5,7,8-tetraacetyloxy-1-oxaspiro[2.5]octan-6-yl) acetate
Also Known As: MYOINOSITOL 12-O, C-METHYLENE-1-PENTAACETATE, 4,5,7,8-Tetrakis(acetyloxy)-1-oxaspiro(2.5)oct-6-yl acetate, (4,5,7,8-tetraacetoxy-2-oxaspiro[2.5]octan-6-yl) acetate, (4,5,7,8-tetraacetyloxy-2-oxaspiro[2.5]octan-6-yl) acetate, 4,5,7,8-Tetrakis(acetyloxy)-1-oxaspiro[2.5]oct-6-yl acetate
| Molecular Formula | C17H22O11 |
|---|---|
| Molecular Weight | 402.12 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 402.1162 |
| Heavy Atoms | 28 |
| Complexity | 641.0 |
Chemical Identifiers
| CAS Number | 5348-95-8 |
|---|---|
| SMILES | CC(=O)OC1C(C(C2(CO2)C(C1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | XVEACTPJNKPHGA-UHFFFAOYSA-N |
Product Overview
Myoinositol 12-O, C-methylene-1-pentaacetate (CAS 5348-95-8), with molecular formula C17H22O11 and molecular weight 402.12 g/mol. IUPAC: (4,5,7,8-tetraacetyloxy-1-oxaspiro[2.5]octan-6-yl) acetate.
Chemical Property Profile of Myoinositol 12-O, C-methylene-1-pentaacetate
Property Insights of Myoinositol 12-O, C-methylene-1-pentaacetate
The XLogP value of -0.7 indicates that Myoinositol 12-O, C-methylene-1-pentaacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 144.0 Ų indicates high polarity, suggesting Myoinositol 12-O, C-methylene-1-pentaacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Myoinositol 12-O, C-methylene-1-pentaacetate has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Myoinositol 12-O, C-methylene-1-pentaacetate?
The CAS number of Myoinositol 12-O, C-methylene-1-pentaacetate is 5348-95-8.
What is the molecular formula of Myoinositol 12-O, C-methylene-1-pentaacetate?
The molecular formula of Myoinositol 12-O, C-methylene-1-pentaacetate is C17H22O11.
What is the molecular weight of Myoinositol 12-O, C-methylene-1-pentaacetate?
The molecular weight of Myoinositol 12-O, C-methylene-1-pentaacetate is 402.12 g/mol.
Where can I buy Myoinositol 12-O, C-methylene-1-pentaacetate?
You can request a quote for Myoinositol 12-O, C-methylene-1-pentaacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Myoinositol 12-O, C-methylene-1-pentaacetate?
Yes, KEHONG BIO provides custom synthesis services for Myoinositol 12-O, C-methylene-1-pentaacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.