Anhydroenneaheptitol
TL;DR: Anhydroenneaheptitol (CAS 4744-47-2) is a chemical compound with molecular formula C9H18O6 and molecular weight 222.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,5,5-tetrakis(hydroxymethyl)oxan-4-ol
Also Known As: Anhydroenneaheptitol, Enneaheptitol, anhydro-, 3,3,5,5-Tetramethylol-4-hydroxypyran, 3,3,5,5-tetrakis(hydroxymethyl)oxan-4-ol, 3,5,5-Tetramethylol-4-hydroxypyran
| Molecular Formula | C9H18O6 |
|---|---|
| Molecular Weight | 222.11 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.11034 |
| Heavy Atoms | 15 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 4744-47-2 |
|---|---|
| SMILES | C1C(C(C(CO1)(CO)CO)O)(CO)CO |
| InChIKey | LCOOMOSZMKFHOC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Anhydroenneaheptitol (CAS 4744-47-2), with molecular formula C9H18O6 and molecular weight 222.11 g/mol. IUPAC: 3,3,5,5-tetrakis(hydroxymethyl)oxan-4-ol.
Chemical Property Profile of Anhydroenneaheptitol
Property Insights of Anhydroenneaheptitol
The XLogP value of -2.7 indicates that Anhydroenneaheptitol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Anhydroenneaheptitol. Following Lipinski's Rule of Five, Anhydroenneaheptitol has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Anhydroenneaheptitol?
The CAS number of Anhydroenneaheptitol is 4744-47-2.
What is the molecular formula of Anhydroenneaheptitol?
The molecular formula of Anhydroenneaheptitol is C9H18O6.
What is the molecular weight of Anhydroenneaheptitol?
The molecular weight of Anhydroenneaheptitol is 222.11 g/mol.
Where can I buy Anhydroenneaheptitol?
You can request a quote for Anhydroenneaheptitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anhydroenneaheptitol?
Yes, KEHONG BIO provides custom synthesis services for Anhydroenneaheptitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.