1,3:2,5:4,6-Tri-O-methylene-D-mannitol
TL;DR: 1,3:2,5:4,6-Tri-O-methylene-D-mannitol (CAS 5434-31-1) is a chemical compound with molecular formula C9H14O6 and molecular weight 218.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,8,10,13,15-hexaoxatricyclo[9.4.0.02,7]pentadecane
Also Known As: AI3-37964, 1,3:2,5:4,6-Tri-O-methylene-D-mannitol, D-Mannitol, 1,3:2,5:4,6-tri-O-methylene-, 3,5,8,10,13,15-Hexaoxatricyclo[9.4.0.02,7]pentadecane, 3,5,8,10,13,15-hexaoxatricyclo[9.4.0.0?,?]pentadecane
| Molecular Formula | C9H14O6 |
|---|---|
| Molecular Weight | 218.08 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.07904 |
| Heavy Atoms | 15 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 5434-31-1 |
|---|---|
| SMILES | C1C2C(C3C(COCO3)OCO2)OCO1 |
| InChIKey | QQQVHHWRMWBKNS-UHFFFAOYSA-N |
Product Overview
1,3:2,5:4,6-Tri-O-methylene-D-mannitol (CAS 5434-31-1), with molecular formula C9H14O6 and molecular weight 218.08 g/mol. IUPAC: 3,5,8,10,13,15-hexaoxatricyclo[9.4.0.02,7]pentadecane.
Chemical Property Profile of 1,3:2,5:4,6-Tri-O-methylene-D-mannitol
Property Insights of 1,3:2,5:4,6-Tri-O-methylene-D-mannitol
The XLogP value of -0.8 indicates that 1,3:2,5:4,6-Tri-O-methylene-D-mannitol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.4 Ų, 1,3:2,5:4,6-Tri-O-methylene-D-mannitol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3:2,5:4,6-Tri-O-methylene-D-mannitol has 0 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 1,3:2,5:4,6-Tri-O-methylene-D-mannitol?
The CAS number of 1,3:2,5:4,6-Tri-O-methylene-D-mannitol is 5434-31-1.
What is the molecular formula of 1,3:2,5:4,6-Tri-O-methylene-D-mannitol?
The molecular formula of 1,3:2,5:4,6-Tri-O-methylene-D-mannitol is C9H14O6.
What is the molecular weight of 1,3:2,5:4,6-Tri-O-methylene-D-mannitol?
The molecular weight of 1,3:2,5:4,6-Tri-O-methylene-D-mannitol is 218.08 g/mol.
Where can I buy 1,3:2,5:4,6-Tri-O-methylene-D-mannitol?
You can request a quote for 1,3:2,5:4,6-Tri-O-methylene-D-mannitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3:2,5:4,6-Tri-O-methylene-D-mannitol?
Yes, KEHONG BIO provides custom synthesis services for 1,3:2,5:4,6-Tri-O-methylene-D-mannitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.