12-(1-Pyrenedodecanoyl)sphingosylgalactosyl-O-3-sulfate
TL;DR: 12-(1-Pyrenedodecanoyl)sphingosylgalactosyl-O-3-sulfate (CAS 111682-15-6) is a chemical compound with molecular formula C52H77NO11S and molecular weight 923.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E,2S,3R)-2-(12-pyren-1-yldodecanoylamino)-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-3-yl] hydrogen sulfate
Also Known As: P12 Sulfatide, 12-(1-Pyrenedodecanoyl)sphingosylgalactosyl-O-3-sulfate, [(E,2S,3R)-2-(12-pyren-1-yldodecanoylamino)-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-3-yl] hydrogen sulfate, Dodecanamide, N-(1-((beta-D-galactopyranosyloxy)methyl)-2-(sulfooxy)-3-heptadecenyl)-12-(1-pyrenyl)-, (R-(R*,S*-(E)))-, RefChem:78122
| Molecular Formula | C52H77NO11S |
|---|---|
| Molecular Weight | 923.52 g/mol |
| LogP | 9.7741 |
| Topological Polar Surface Area | 192.08 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 33 |
| Exact Mass | 923.5217 |
| Heavy Atoms | 65 |
| Complexity | 2093.3271 |
Chemical Identifiers
| CAS Number | 111682-15-6 |
|---|---|
| SMILES | CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)OS(=O)(=O)O |
Product Overview
12-(1-Pyrenedodecanoyl)sphingosylgalactosyl-O-3-sulfate (CAS 111682-15-6), with molecular formula C52H77NO11S and molecular weight 923.52 g/mol. IUPAC: [(E,2S,3R)-2-(12-pyren-1-yldodecanoylamino)-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-3-yl] hydrogen sulfate.
Chemical Property Profile of 12-(1-Pyrenedodecanoyl)sphingosylgalactosyl-O-3-sulfate
Property Insights of 12-(1-Pyrenedodecanoyl)sphingosylgalactosyl-O-3-sulfate
The XLogP value of 9.7741 indicates that 12-(1-Pyrenedodecanoyl)sphingosylgalactosyl-O-3-sulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 192.08 Ų indicates high polarity, suggesting 12-(1-Pyrenedodecanoyl)sphingosylgalactosyl-O-3-sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 12-(1-Pyrenedodecanoyl)sphingosylgalactosyl-O-3-sulfate has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12-(1-Pyrenedodecanoyl)sphingosylgalactosyl-O-3-sulfate?
The CAS number of 12-(1-Pyrenedodecanoyl)sphingosylgalactosyl-O-3-sulfate is 111682-15-6.
What is the molecular formula of 12-(1-Pyrenedodecanoyl)sphingosylgalactosyl-O-3-sulfate?
The molecular formula of 12-(1-Pyrenedodecanoyl)sphingosylgalactosyl-O-3-sulfate is C52H77NO11S.
What is the molecular weight of 12-(1-Pyrenedodecanoyl)sphingosylgalactosyl-O-3-sulfate?
The molecular weight of 12-(1-Pyrenedodecanoyl)sphingosylgalactosyl-O-3-sulfate is 923.52 g/mol.
Where can I buy 12-(1-Pyrenedodecanoyl)sphingosylgalactosyl-O-3-sulfate?
You can request a quote for 12-(1-Pyrenedodecanoyl)sphingosylgalactosyl-O-3-sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-(1-Pyrenedodecanoyl)sphingosylgalactosyl-O-3-sulfate?
Yes, KEHONG BIO provides custom synthesis services for 12-(1-Pyrenedodecanoyl)sphingosylgalactosyl-O-3-sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.