D-Glucitol, 1,5-anhydro-, 3,4,6-tridodecanoate
TL;DR: D-Glucitol, 1,5-anhydro-, 3,4,6-tridodecanoate (CAS 54172-97-3) is a chemical compound with molecular formula C42H78O8 and molecular weight 710.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4-di(dodecanoyloxy)-5-hydroxyoxan-2-yl]methyl dodecanoate
Also Known As: 1,5-Anhydro-D-glucitol 3,4,6-tridodecanoate, 2,6-anhydro-1,3,4-tri-o-dodecanoylhexitol, D-Glucitol, 1,5-anhydro-, 3,4,6-tridodecanoate, [3,4-di(dodecanoyloxy)-5-hydroxyoxan-2-yl]methyl dodecanoate, 259-012-1
| Molecular Formula | C42H78O8 |
|---|---|
| Molecular Weight | 710.57 g/mol |
| LogP | 14.6 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 37 |
| Exact Mass | 710.56964 |
| Heavy Atoms | 50 |
| Complexity | 818.0 |
Chemical Identifiers
| CAS Number | 54172-97-3 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)OCC1C(C(C(CO1)O)OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC |
| InChIKey | AIQOMNHTLTZMDO-UHFFFAOYSA-N |
Product Overview
D-Glucitol, 1,5-anhydro-, 3,4,6-tridodecanoate (CAS 54172-97-3), with molecular formula C42H78O8 and molecular weight 710.57 g/mol. IUPAC: [3,4-di(dodecanoyloxy)-5-hydroxyoxan-2-yl]methyl dodecanoate.
Chemical Property Profile of D-Glucitol, 1,5-anhydro-, 3,4,6-tridodecanoate
Property Insights of D-Glucitol, 1,5-anhydro-, 3,4,6-tridodecanoate
The XLogP value of 14.6 indicates that D-Glucitol, 1,5-anhydro-, 3,4,6-tridodecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for D-Glucitol, 1,5-anhydro-, 3,4,6-tridodecanoate. Following Lipinski's Rule of Five, D-Glucitol, 1,5-anhydro-, 3,4,6-tridodecanoate has 1 hydrogen bond donor(s) and 8 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, 1,5-anhydro-, 3,4,6-tridodecanoate?
The CAS number of D-Glucitol, 1,5-anhydro-, 3,4,6-tridodecanoate is 54172-97-3.
What is the molecular formula of D-Glucitol, 1,5-anhydro-, 3,4,6-tridodecanoate?
The molecular formula of D-Glucitol, 1,5-anhydro-, 3,4,6-tridodecanoate is C42H78O8.
What is the molecular weight of D-Glucitol, 1,5-anhydro-, 3,4,6-tridodecanoate?
The molecular weight of D-Glucitol, 1,5-anhydro-, 3,4,6-tridodecanoate is 710.57 g/mol.
Where can I buy D-Glucitol, 1,5-anhydro-, 3,4,6-tridodecanoate?
You can request a quote for D-Glucitol, 1,5-anhydro-, 3,4,6-tridodecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D-Glucitol, 1,5-anhydro-, 3,4,6-tridodecanoate?
Yes, KEHONG BIO provides custom synthesis services for D-Glucitol, 1,5-anhydro-, 3,4,6-tridodecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.