D-Mannitol, hexabenzoate
TL;DR: D-Mannitol, hexabenzoate (CAS 7462-41-1) is a chemical compound with molecular formula C48H38O12 and molecular weight 806.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5,6-pentabenzoyloxyhexyl benzoate
Also Known As: D-Mannitol, hexabenzoate, Dulcitol hexabenzoate, 2,3,4,5,6-pentabenzoyloxyhexyl benzoate, 1,2,3,4,5,6-Hexa-O-benzoylhexitol, 1,2,4,5,6-pentabenzoyloxyhexan-3-yl benzoate
| Molecular Formula | C48H38O12 |
|---|---|
| Molecular Weight | 806.24 g/mol |
| LogP | 9.8 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 23 |
| Exact Mass | 806.2363 |
| Heavy Atoms | 60 |
| Complexity | 1270.0 |
Chemical Identifiers
| CAS Number | 7462-41-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC(C(C(C(COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6 |
| InChIKey | LDCRTWOPHMRXIF-UHFFFAOYSA-N |
Product Overview
D-Mannitol, hexabenzoate (CAS 7462-41-1), with molecular formula C48H38O12 and molecular weight 806.24 g/mol. IUPAC: 2,3,4,5,6-pentabenzoyloxyhexyl benzoate.
Chemical Property Profile of D-Mannitol, hexabenzoate
Property Insights of D-Mannitol, hexabenzoate
The XLogP value of 9.8 indicates that D-Mannitol, hexabenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.0 Ų indicates high polarity, suggesting D-Mannitol, hexabenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, D-Mannitol, hexabenzoate has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of D-Mannitol, hexabenzoate?
The CAS number of D-Mannitol, hexabenzoate is 7462-41-1.
What is the molecular formula of D-Mannitol, hexabenzoate?
The molecular formula of D-Mannitol, hexabenzoate is C48H38O12.
What is the molecular weight of D-Mannitol, hexabenzoate?
The molecular weight of D-Mannitol, hexabenzoate is 806.24 g/mol.
Where can I buy D-Mannitol, hexabenzoate?
You can request a quote for D-Mannitol, hexabenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D-Mannitol, hexabenzoate?
Yes, KEHONG BIO provides custom synthesis services for D-Mannitol, hexabenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.