2-Palmitoyl-3-phthioceranoyl-6,6'-bis hydroxyphthioceranoyl trehalose-2'-sulfate
TL;DR: 2-Palmitoyl-3-phthioceranoyl-6,6'-bis hydroxyphthioceranoyl trehalose-2'-sulfate (CAS 53580-08-8) is a chemical compound with molecular formula C145H283NO20S and molecular weight 2391.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanium (2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-6-(2,4,6,8,10,12,14-heptamethyltriacontanoyloxymethyl)-3-hexadecanoyloxy-4-hydroxy-5-(17-hydroxy-2,4,6,8,10,12,14,16-octamethyldotriacontanoyl)oxyoxan-2-yl]oxy-5-hydroxy-6-[(17-hydroxy-2,4,6,8,10,12,14,16-octamethyldotriacontanoyl)oxymethyl]-3-sulfooxyoxan-4-olate
Also Known As: Sulfolipid I, 2,3,6,6'-Tetraacyl-alpha,alpha'-D-trehalose 2'-sulfate, 2-Palmitoyl-3-phthioceranoyl-6,6'-bis hydroxyphthioceranoyl trehalose-2'-sulfate, azanium;(2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-6-(2,4,6,8,10,12,14-heptamethyltriacontanoyloxymethyl)-3-hexadecanoyloxy-4-hydroxy-5-(17-hydroxy-2,4,6,8,10,12,14,16-octamethyldotriacontanoyl)oxyoxan-2-yl]oxy-5-hydroxy-6-[(17-hydroxy-2,4,6,8,10,12,14,16-octamethyldotriacontanoyl)oxymethyl]-3-sulfooxyoxan-4-olate, alpha-D-Glucopyranoside, 6-O-(2,4,6,8,10,12,14-heptamethyl-1-oxotriacontyl)-4-O-(17-hydroxy-2,4,6,8,10,12,14,16-octamethyl-1-oxodotriacontyl)-2-O-(1-oxohexadecyl)-alpha-D-glucopyranosyl, 6-(17-hydroxy-2,4,6,8,10,12,14,16-octamethyldotriacontanoate) 2-(hydrogen sulfate), monoammonium salt
| Molecular Formula | C145H283NO20S |
|---|---|
| Molecular Weight | 2391.09 g/mol |
| LogP | 39.8471 |
| Topological Polar Surface Area | 310.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 116 |
| Exact Mass | 2391.088 |
| Heavy Atoms | 167 |
| Complexity | 3680.0 |
Chemical Identifiers
| CAS Number | 53580-08-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C(CCCCCCCCCCCCCCC)O)O)[O-])OS(=O)(=O)O)OC(=O)CCCCCCCCCCCCCCC)O)OC(=O)C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C(CCCCCCCCCCCCCCC)O.[NH4+] |
| InChIKey | CUOZZFPSPKMKKS-YCXBDGMRSA-O |
Product Overview
2-Palmitoyl-3-phthioceranoyl-6,6'-bis hydroxyphthioceranoyl trehalose-2'-sulfate (CAS 53580-08-8), with molecular formula C145H283NO20S and molecular weight 2391.09 g/mol. IUPAC: azanium (2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-6-(2,4,6,8,10,12,14-heptamethyltriacontanoyloxymethyl)-3-hexadecanoyloxy-4-hydroxy-5-(17-hydroxy-2,4,6,8,10,12,14,16-octamethyldotriacontanoyl)oxyoxan-2-yl]oxy-5-hydroxy-6-[(17-hydroxy-2,4,6,8,10,12,14,16-octamethyldotriacontanoyl)oxymethyl]-3-sulfooxyoxan-4-olate.
Chemical Property Profile of 2-Palmitoyl-3-phthioceranoyl-6,6'-bis hydroxyphthioceranoyl trehalose-2'-sulfate
Property Insights of 2-Palmitoyl-3-phthioceranoyl-6,6'-bis hydroxyphthioceranoyl trehalose-2'-sulfate
The XLogP value of 39.8471 indicates that 2-Palmitoyl-3-phthioceranoyl-6,6'-bis hydroxyphthioceranoyl trehalose-2'-sulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 310.0 Ų indicates high polarity, suggesting 2-Palmitoyl-3-phthioceranoyl-6,6'-bis hydroxyphthioceranoyl trehalose-2'-sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Palmitoyl-3-phthioceranoyl-6,6'-bis hydroxyphthioceranoyl trehalose-2'-sulfate has 6 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Palmitoyl-3-phthioceranoyl-6,6'-bis hydroxyphthioceranoyl trehalose-2'-sulfate?
The CAS number of 2-Palmitoyl-3-phthioceranoyl-6,6'-bis hydroxyphthioceranoyl trehalose-2'-sulfate is 53580-08-8.
What is the molecular formula of 2-Palmitoyl-3-phthioceranoyl-6,6'-bis hydroxyphthioceranoyl trehalose-2'-sulfate?
The molecular formula of 2-Palmitoyl-3-phthioceranoyl-6,6'-bis hydroxyphthioceranoyl trehalose-2'-sulfate is C145H283NO20S.
What is the molecular weight of 2-Palmitoyl-3-phthioceranoyl-6,6'-bis hydroxyphthioceranoyl trehalose-2'-sulfate?
The molecular weight of 2-Palmitoyl-3-phthioceranoyl-6,6'-bis hydroxyphthioceranoyl trehalose-2'-sulfate is 2391.09 g/mol.
Where can I buy 2-Palmitoyl-3-phthioceranoyl-6,6'-bis hydroxyphthioceranoyl trehalose-2'-sulfate?
You can request a quote for 2-Palmitoyl-3-phthioceranoyl-6,6'-bis hydroxyphthioceranoyl trehalose-2'-sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Palmitoyl-3-phthioceranoyl-6,6'-bis hydroxyphthioceranoyl trehalose-2'-sulfate?
Yes, KEHONG BIO provides custom synthesis services for 2-Palmitoyl-3-phthioceranoyl-6,6'-bis hydroxyphthioceranoyl trehalose-2'-sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.