6,1',6'-tri-O-trimsylsucrose
TL;DR: 6,1',6'-tri-O-trimsylsucrose (CAS 58510-36-4) is a chemical compound with molecular formula C39H52O17S3 and molecular weight 888.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[3,4-dihydroxy-2,5-bis[(2,4,6-trimethylphenyl)sulfonyloxymethyl]oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 2,4,6-trimethylbenzenesulfonate
Also Known As: 6,1',6'-tri-O-trimsylsucrose, [6-[3,4-dihydroxy-2,5-bis[(2,4,6-trimethylphenyl)sulfonyloxymethyl]oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 2,4,6-trimethylbenzenesulfonate, 1,6-Bis-O-(2,4,6-trimethylbenzene-1-sulfonyl)hex-2-ulofuranosyl 6-O-(2,4,6-trimethylbenzene-1-sulfonyl)hexopyranoside, 2-[3,4-dihydroxy-2,5-bis[(2,4,6-trimethylphenyl)sulfonyloxymethyl]oxolan-2-yl]oxy-6-[(2,4,6-trimethylphenyl)sulfonyloxymethyl]oxane-3,4,5-triol
| Molecular Formula | C39H52O17S3 |
|---|---|
| Molecular Weight | 888.24 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 284.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 14 |
| Exact Mass | 888.23663 |
| Heavy Atoms | 59 |
| Complexity | 1690.0 |
Chemical Identifiers
| CAS Number | 58510-36-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)OCC2C(C(C(C(O2)OC3(C(C(C(O3)COS(=O)(=O)C4=C(C=C(C=C4C)C)C)O)O)COS(=O)(=O)C5=C(C=C(C=C5C)C)C)O)O)O)C |
| InChIKey | HNFQIEFNUSOSHL-UHFFFAOYSA-N |
Product Overview
6,1',6'-tri-O-trimsylsucrose (CAS 58510-36-4), with molecular formula C39H52O17S3 and molecular weight 888.24 g/mol. IUPAC: [6-[3,4-dihydroxy-2,5-bis[(2,4,6-trimethylphenyl)sulfonyloxymethyl]oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 2,4,6-trimethylbenzenesulfonate.
Chemical Property Profile of 6,1',6'-tri-O-trimsylsucrose
Property Insights of 6,1',6'-tri-O-trimsylsucrose
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,1',6'-tri-O-trimsylsucrose. The TPSA of 284.0 Ų indicates high polarity, suggesting 6,1',6'-tri-O-trimsylsucrose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6,1',6'-tri-O-trimsylsucrose has 5 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6,1',6'-tri-O-trimsylsucrose?
The CAS number of 6,1',6'-tri-O-trimsylsucrose is 58510-36-4.
What is the molecular formula of 6,1',6'-tri-O-trimsylsucrose?
The molecular formula of 6,1',6'-tri-O-trimsylsucrose is C39H52O17S3.
What is the molecular weight of 6,1',6'-tri-O-trimsylsucrose?
The molecular weight of 6,1',6'-tri-O-trimsylsucrose is 888.24 g/mol.
Where can I buy 6,1',6'-tri-O-trimsylsucrose?
You can request a quote for 6,1',6'-tri-O-trimsylsucrose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,1',6'-tri-O-trimsylsucrose?
Yes, KEHONG BIO provides custom synthesis services for 6,1',6'-tri-O-trimsylsucrose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.