TL;DR: 1,2,3,4,5,6-hexakis-O-(3-hydroxypropyl)hexitol (CAS 109224-17-1) is a chemical compound with molecular formula C24H50O12 and molecular weight 530.3302 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2,3,4,5,6-pentakis(3-hydroxypropoxy)hexoxy]propan-1-ol
Also Known As: D-Glucitol, propoxylated, Sorbitol polyoxypropylene ether, 1,2,3,4,5,6-hexakis-O-(3-hydroxypropyl)hexitol, EC 500-118-7, 500-118-7 (NLP #)
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C24H50O12 |
| Molecular Weight | 530.3302 g/mol |
| XLogP | -2.4 |
| Topological Polar Surface Area (TPSA) | 177.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 29 |
| Exact Mass | 530.3302 Da |
| Heavy Atoms | 36 |
| Complexity | 394.0 |
| SMILES | C(CO)COCC(C(C(C(COCCCO)OCCCO)OCCCO)OCCCO)OCCCO |
| InChIKey | OJZGCEDLMNSDNY-UHFFFAOYSA-N |
The XLogP value of -2.4 indicates that 1,2,3,4,5,6-hexakis-O-(3-hydroxypropyl)hexitol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 177.0 Ų indicates high polarity, suggesting 1,2,3,4,5,6-hexakis-O-(3-hydroxypropyl)hexitol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2,3,4,5,6-hexakis-O-(3-hydroxypropyl)hexitol has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,2,3,4,5,6-hexakis-O-(3-hydroxypropyl)hexitol is 109224-17-1.
The molecular formula of 1,2,3,4,5,6-hexakis-O-(3-hydroxypropyl)hexitol is C24H50O12.
The molecular weight of 1,2,3,4,5,6-hexakis-O-(3-hydroxypropyl)hexitol is 530.3302 g/mol.
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