Phytolacca cerebroside
TL;DR: Phytolacca cerebroside (CAS 336622-97-0) is a chemical compound with molecular formula C48H93NO10 and molecular weight 843.68 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-N-[(Z,2S,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-8-en-2-yl]-2-hydroxytetracosanamide
Also Known As: Phytolacca cerebroside, Glucosyl ceramide, phytolacca cerebroside-, J1.507.322E, (2R)-N-((1S,2S,3R,7Z)-1-((beta-D-Glucopyranosyloxy)methyl)-2,3-dihydroxy-7-heptadecen-1-yl)-2-hydroxytetracosanamide (, (2R)-N-((1S,2S,3R,7Z)-1-((beta-D-Glucopyranosyloxy)methyl)-2,3-dihydroxyheptadec-7-en-1-yl)-2-hydroxytetracosanamide
| Molecular Formula | C48H93NO10 |
|---|---|
| Molecular Weight | 843.68 g/mol |
| LogP | 8.4496 |
| Topological Polar Surface Area | 189.17 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 41 |
| Exact Mass | 843.67993 |
| Heavy Atoms | 59 |
| Complexity | 970.10126 |
Chemical Identifiers
| CAS Number | 336622-97-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCC/C=C\CCCCCCCCC)O)O)O |
Product Overview
Phytolacca cerebroside (CAS 336622-97-0), with molecular formula C48H93NO10 and molecular weight 843.68 g/mol. IUPAC: (2R)-N-[(Z,2S,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-8-en-2-yl]-2-hydroxytetracosanamide.
Chemical Property Profile of Phytolacca cerebroside
Property Insights of Phytolacca cerebroside
The XLogP value of 8.4496 indicates that Phytolacca cerebroside is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 189.17 Ų indicates high polarity, suggesting Phytolacca cerebroside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phytolacca cerebroside has 8 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 Phytolacca cerebroside?
The CAS number of Phytolacca cerebroside is 336622-97-0.
What is the molecular formula of Phytolacca cerebroside?
The molecular formula of Phytolacca cerebroside is C48H93NO10.
What is the molecular weight of Phytolacca cerebroside?
The molecular weight of Phytolacca cerebroside is 843.68 g/mol.
Where can I buy Phytolacca cerebroside?
You can request a quote for Phytolacca cerebroside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phytolacca cerebroside?
Yes, KEHONG BIO provides custom synthesis services for Phytolacca cerebroside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.