2,3,4,5,6-Pentahydroxyhexyl 2-hydroxybenzoate
TL;DR: 2,3,4,5,6-Pentahydroxyhexyl 2-hydroxybenzoate (CAS 1174156-02-5) is a chemical compound with molecular formula C13H18O8 and molecular weight 302.10016 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3,4,5,6-pentahydroxyhexyl 2-hydroxybenzoate
Also Known As: 1-O-[(2-hydroxyphenyl)carbonyl]hexitol, 2,3,4,5,6-pentahydroxyhexyl 2-hydroxybenzoate
Technical Specifications
| Molecular Formula | C13H18O8 |
| Molecular Weight | 302.10016 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 148.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 302.10016 Da |
| Heavy Atoms | 21 |
| Complexity | 323.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)OCC(C(C(C(CO)O)O)O)O)O |
| InChIKey | DTKRGJZNRMIPRF-UHFFFAOYSA-N |
Chemical Property Profile of 2,3,4,5,6-Pentahydroxyhexyl 2-hydroxybenzoate
Property Insights of 2,3,4,5,6-Pentahydroxyhexyl 2-hydroxybenzoate
The XLogP value of -0.6 indicates that 2,3,4,5,6-Pentahydroxyhexyl 2-hydroxybenzoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 148.0 Ų indicates high polarity, suggesting 2,3,4,5,6-Pentahydroxyhexyl 2-hydroxybenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,3,4,5,6-Pentahydroxyhexyl 2-hydroxybenzoate has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2,3,4,5,6-Pentahydroxyhexyl 2-hydroxybenzoate?
The CAS number of 2,3,4,5,6-Pentahydroxyhexyl 2-hydroxybenzoate is 1174156-02-5.
What is the molecular formula of 2,3,4,5,6-Pentahydroxyhexyl 2-hydroxybenzoate?
The molecular formula of 2,3,4,5,6-Pentahydroxyhexyl 2-hydroxybenzoate is C13H18O8.
What is the molecular weight of 2,3,4,5,6-Pentahydroxyhexyl 2-hydroxybenzoate?
The molecular weight of 2,3,4,5,6-Pentahydroxyhexyl 2-hydroxybenzoate is 302.10016 g/mol.
Where can I buy 2,3,4,5,6-Pentahydroxyhexyl 2-hydroxybenzoate?
You can request a quote for 2,3,4,5,6-Pentahydroxyhexyl 2-hydroxybenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,3,4,5,6-Pentahydroxyhexyl 2-hydroxybenzoate?
Yes, CoreyChem provides custom synthesis services for 2,3,4,5,6-Pentahydroxyhexyl 2-hydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.