myo-Inositol, 2,21-anhydro-2-C-(hydroxymethyl)-, pentaacetate
TL;DR: myo-Inositol, 2,21-anhydro-2-C-(hydroxymethyl)-, pentaacetate (CAS 59782-33-1) 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.
[(4S,5R,7S,8R)-4,5,7,8-tetraacetyloxy-1-oxaspiro[2.5]octan-6-yl] acetate
Also Known As: KST-1A6373, MYOINOSITOL 12-O, C-METHYLENE-1-PENTAACETATE, (4r,5s,7r,8s)-1-oxaspiro[2.5]octane-4,5,6,7,8-pentayl pentaacetate, myo-Inositol, 2,21-anhydro-2-C-(hydroxymethyl)-, pentaacetate, (3s,4R,5S,6s,7R,8S)-1-Oxaspiro[2.5]octane-4,5,6,7,8-pentayl pentaacetate
| 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 | 59782-33-1 |
|---|---|
| SMILES | CC(=O)O[C@@H]1[C@H](C2(CO2)[C@H]([C@@H](C1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | XVEACTPJNKPHGA-WAJHAFIMSA-N |
Product Overview
myo-Inositol, 2,21-anhydro-2-C-(hydroxymethyl)-, pentaacetate (CAS 59782-33-1), with molecular formula C17H22O11 and molecular weight 402.12 g/mol. IUPAC: [(4S,5R,7S,8R)-4,5,7,8-tetraacetyloxy-1-oxaspiro[2.5]octan-6-yl] acetate.
Chemical Property Profile of myo-Inositol, 2,21-anhydro-2-C-(hydroxymethyl)-, pentaacetate
Property Insights of myo-Inositol, 2,21-anhydro-2-C-(hydroxymethyl)-, pentaacetate
The XLogP value of -0.7 indicates that myo-Inositol, 2,21-anhydro-2-C-(hydroxymethyl)-, 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 myo-Inositol, 2,21-anhydro-2-C-(hydroxymethyl)-, pentaacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, myo-Inositol, 2,21-anhydro-2-C-(hydroxymethyl)-, 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 myo-Inositol, 2,21-anhydro-2-C-(hydroxymethyl)-, pentaacetate?
The CAS number of myo-Inositol, 2,21-anhydro-2-C-(hydroxymethyl)-, pentaacetate is 59782-33-1.
What is the molecular formula of myo-Inositol, 2,21-anhydro-2-C-(hydroxymethyl)-, pentaacetate?
The molecular formula of myo-Inositol, 2,21-anhydro-2-C-(hydroxymethyl)-, pentaacetate is C17H22O11.
What is the molecular weight of myo-Inositol, 2,21-anhydro-2-C-(hydroxymethyl)-, pentaacetate?
The molecular weight of myo-Inositol, 2,21-anhydro-2-C-(hydroxymethyl)-, pentaacetate is 402.12 g/mol.
Where can I buy myo-Inositol, 2,21-anhydro-2-C-(hydroxymethyl)-, pentaacetate?
You can request a quote for myo-Inositol, 2,21-anhydro-2-C-(hydroxymethyl)-, pentaacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for myo-Inositol, 2,21-anhydro-2-C-(hydroxymethyl)-, pentaacetate?
Yes, KEHONG BIO provides custom synthesis services for myo-Inositol, 2,21-anhydro-2-C-(hydroxymethyl)-, pentaacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.