(2S)-2,3-Bis((1-oxohexadecyl)oxy)propyl 6-deoxy-6-sulfo-alpha-D-glucopyranoside
TL;DR: (2S)-2,3-Bis((1-oxohexadecyl)oxy)propyl 6-deoxy-6-sulfo-alpha-D-glucopyranoside (CAS 122991-48-4) is a chemical compound with molecular formula C41H78O12S and molecular weight 794.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S,4S,5R,6S)-6-[(2S)-2,3-di(hexadecanoyloxy)propoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid
Also Known As: Sulfonoglycolipid, J2.069.064J, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-di-O-acyl-3-O-(6'-deoxy-6'-sulfo-alpha-D-glucopyranosyl)-sn-glycerol, (2S)-1-O,2-O-Dipalmitoyl-3-O-(6-sulfo-6-deoxy-alpha-D-glucopyranosyl)glycerol
| Molecular Formula | C41H78O12S |
|---|---|
| Molecular Weight | 794.52 g/mol |
| LogP | 11.5 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 38 |
| Exact Mass | 794.5214 |
| Heavy Atoms | 54 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 122991-48-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC |
| InChIKey | RVUUQPKXGDTQPG-JUDHQOGESA-N |
Product Overview
(2S)-2,3-Bis((1-oxohexadecyl)oxy)propyl 6-deoxy-6-sulfo-alpha-D-glucopyranoside (CAS 122991-48-4), with molecular formula C41H78O12S and molecular weight 794.52 g/mol. IUPAC: [(2S,3S,4S,5R,6S)-6-[(2S)-2,3-di(hexadecanoyloxy)propoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid.
Chemical Property Profile of (2S)-2,3-Bis((1-oxohexadecyl)oxy)propyl 6-deoxy-6-sulfo-alpha-D-glucopyranoside
Property Insights of (2S)-2,3-Bis((1-oxohexadecyl)oxy)propyl 6-deoxy-6-sulfo-alpha-D-glucopyranoside
The XLogP value of 11.5 indicates that (2S)-2,3-Bis((1-oxohexadecyl)oxy)propyl 6-deoxy-6-sulfo-alpha-D-glucopyranoside is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 195.0 Ų indicates high polarity, suggesting (2S)-2,3-Bis((1-oxohexadecyl)oxy)propyl 6-deoxy-6-sulfo-alpha-D-glucopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2S)-2,3-Bis((1-oxohexadecyl)oxy)propyl 6-deoxy-6-sulfo-alpha-D-glucopyranoside has 4 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 (2S)-2,3-Bis((1-oxohexadecyl)oxy)propyl 6-deoxy-6-sulfo-alpha-D-glucopyranoside?
The CAS number of (2S)-2,3-Bis((1-oxohexadecyl)oxy)propyl 6-deoxy-6-sulfo-alpha-D-glucopyranoside is 122991-48-4.
What is the molecular formula of (2S)-2,3-Bis((1-oxohexadecyl)oxy)propyl 6-deoxy-6-sulfo-alpha-D-glucopyranoside?
The molecular formula of (2S)-2,3-Bis((1-oxohexadecyl)oxy)propyl 6-deoxy-6-sulfo-alpha-D-glucopyranoside is C41H78O12S.
What is the molecular weight of (2S)-2,3-Bis((1-oxohexadecyl)oxy)propyl 6-deoxy-6-sulfo-alpha-D-glucopyranoside?
The molecular weight of (2S)-2,3-Bis((1-oxohexadecyl)oxy)propyl 6-deoxy-6-sulfo-alpha-D-glucopyranoside is 794.52 g/mol.
Where can I buy (2S)-2,3-Bis((1-oxohexadecyl)oxy)propyl 6-deoxy-6-sulfo-alpha-D-glucopyranoside?
You can request a quote for (2S)-2,3-Bis((1-oxohexadecyl)oxy)propyl 6-deoxy-6-sulfo-alpha-D-glucopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2,3-Bis((1-oxohexadecyl)oxy)propyl 6-deoxy-6-sulfo-alpha-D-glucopyranoside?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2,3-Bis((1-oxohexadecyl)oxy)propyl 6-deoxy-6-sulfo-alpha-D-glucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.