Alborixin
TL;DR: Alborixin (CAS 57760-36-8) is a chemical compound with molecular formula C48H84O14 and molecular weight 884.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[(2S,3S,5R,6S)-6-[(2R,3S)-3-[(2R,5S,6R)-6-[[(2R,3S,5R,6R)-6-[(R)-[(2S,5S)-5-[(2R,3R,5S)-5-[(2R,5R,6S)-6-ethyl-5-hydroxy-5-methyloxan-2-yl]-2-hydroxy-3,5-dimethyloxolan-2-yl]-5-methyloxolan-2-yl]-hydroxymethyl]-6-hydroxy-3,5-dimethyloxan-2-yl]methyl]-6-hydroxy-5-methyloxan-2-yl]-2-hydroxybutyl]-3,5-dimethyloxan-2-yl]propanoic acid
Also Known As: Alborixin, Antibiotic S 14750A, ALBORIXIN [MI], alborixin monopotassium salt, KST-1A6327
| Molecular Formula | C48H84O14 |
|---|---|
| Molecular Weight | 884.59 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 13 |
| Exact Mass | 884.5861 |
| Heavy Atoms | 62 |
| Complexity | 1550.0 |
Chemical Identifiers
| CAS Number | 57760-36-8 |
|---|---|
| SMILES | CC[C@H]1[C@](CC[C@@H](O1)[C@@]2(C[C@H]([C@@](O2)([C@@]3(CC[C@H](O3)[C@H]([C@]4([C@@H](C[C@@H]([C@H](O4)C[C@@]5([C@H](CC[C@@H](O5)[C@@H](C)[C@@H](C[C@H]6[C@@H](C[C@@H]([C@H](O6)[C@@H](C)C(=O)O)C)C)O)C)O)C)C)O)O)C)O)C)C)(C)O |
| InChIKey | WWDHGOLBPBWCNJ-GXXSWWTOSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Alborixin (CAS 57760-36-8), with molecular formula C48H84O14 and molecular weight 884.59 g/mol. IUPAC: (2R)-2-[(2S,3S,5R,6S)-6-[(2R,3S)-3-[(2R,5S,6R)-6-[[(2R,3S,5R,6R)-6-[(R)-[(2S,5S)-5-[(2R,3R,5S)-5-[(2R,5R,6S)-6-ethyl-5-hydroxy-5-methyloxan-2-yl]-2-hydroxy-3,5-dimethyloxolan-2-yl]-5-methyloxolan-2-yl]-hydroxymethyl]-6-hydroxy-3,5-dimethyloxan-2-yl]methyl]-6-hydroxy-5-methyloxan-2-yl]-2-hydroxybutyl]-3,5-dimethyloxan-2-yl]propanoic acid.
Chemical Property Profile of Alborixin
Property Insights of Alborixin
The XLogP value of 5.6 indicates that Alborixin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 214.0 Ų indicates high polarity, suggesting Alborixin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Alborixin has 7 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Alborixin?
The CAS number of Alborixin is 57760-36-8.
What is the molecular formula of Alborixin?
The molecular formula of Alborixin is C48H84O14.
What is the molecular weight of Alborixin?
The molecular weight of Alborixin is 884.59 g/mol.
Where can I buy Alborixin?
You can request a quote for Alborixin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alborixin?
Yes, KEHONG BIO provides custom synthesis services for Alborixin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.