D-Glucitol,2,5-anhydro-,4,6-dibenzoate 1-(4-methylbenzenesulfonate)
TL;DR: D-Glucitol,2,5-anhydro-,4,6-dibenzoate 1-(4-methylbenzenesulfonate) (CAS 82064-07-1) is a chemical compound with molecular formula C27H26O9S and molecular weight 526.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-benzoyloxy-4-hydroxy-5-[(4-methylphenyl)sulfonyloxymethyl]oxolan-2-yl]methyl benzoate
Also Known As: D-Glucitol,2,5-anhydro-,4,6-dibenzoate 1-(4-methylbenzenesulfonate), 2,5-Anhydro-4,6-di-O-benzoyl-1-O-[(4-methylphenyl)sulfonyl]-D-glu citol, [2-(benzoyloxymethyl)-4-hydroxy-5-[(4-methylphenyl)sulfonyloxymethyl]oxolan-3-yl] Benzoate, [3-benzoyloxy-4-hydroxy-5-[(4-methylphenyl)sulfonyloxymethyl]oxolan-2-yl]methyl benzoate
| Molecular Formula | C27H26O9S |
|---|---|
| Molecular Weight | 526.13 g/mol |
| LogP | 2.91122 |
| Topological Polar Surface Area | 125.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 526.12976 |
| Heavy Atoms | 37 |
| Complexity | 1309.0023 |
Chemical Identifiers
| CAS Number | 82064-07-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O |
Product Overview
D-Glucitol,2,5-anhydro-,4,6-dibenzoate 1-(4-methylbenzenesulfonate) (CAS 82064-07-1), with molecular formula C27H26O9S and molecular weight 526.13 g/mol. IUPAC: [3-benzoyloxy-4-hydroxy-5-[(4-methylphenyl)sulfonyloxymethyl]oxolan-2-yl]methyl benzoate.
Chemical Property Profile of D-Glucitol,2,5-anhydro-,4,6-dibenzoate 1-(4-methylbenzenesulfonate)
Property Insights of D-Glucitol,2,5-anhydro-,4,6-dibenzoate 1-(4-methylbenzenesulfonate)
The XLogP value of 2.91122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for D-Glucitol,2,5-anhydro-,4,6-dibenzoate 1-(4-methylbenzenesulfonate). The TPSA of 125.43 Ų falls within the moderate polarity range, balancing permeability and solubility for D-Glucitol,2,5-anhydro-,4,6-dibenzoate 1-(4-methylbenzenesulfonate). Following Lipinski's Rule of Five, D-Glucitol,2,5-anhydro-,4,6-dibenzoate 1-(4-methylbenzenesulfonate) has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of D-Glucitol,2,5-anhydro-,4,6-dibenzoate 1-(4-methylbenzenesulfonate)?
The CAS number of D-Glucitol,2,5-anhydro-,4,6-dibenzoate 1-(4-methylbenzenesulfonate) is 82064-07-1.
What is the molecular formula of D-Glucitol,2,5-anhydro-,4,6-dibenzoate 1-(4-methylbenzenesulfonate)?
The molecular formula of D-Glucitol,2,5-anhydro-,4,6-dibenzoate 1-(4-methylbenzenesulfonate) is C27H26O9S.
What is the molecular weight of D-Glucitol,2,5-anhydro-,4,6-dibenzoate 1-(4-methylbenzenesulfonate)?
The molecular weight of D-Glucitol,2,5-anhydro-,4,6-dibenzoate 1-(4-methylbenzenesulfonate) is 526.13 g/mol.
Where can I buy D-Glucitol,2,5-anhydro-,4,6-dibenzoate 1-(4-methylbenzenesulfonate)?
You can request a quote for D-Glucitol,2,5-anhydro-,4,6-dibenzoate 1-(4-methylbenzenesulfonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D-Glucitol,2,5-anhydro-,4,6-dibenzoate 1-(4-methylbenzenesulfonate)?
Yes, KEHONG BIO provides custom synthesis services for D-Glucitol,2,5-anhydro-,4,6-dibenzoate 1-(4-methylbenzenesulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.