AAL Toxin TA1
TL;DR: AAL Toxin TA1 (CAS 79367-52-5) is a chemical compound with molecular formula C25H47NO10 and molecular weight 521.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,6S,12R,13S,15S)-16-amino-12,13,15-trihydroxy-4-[(1R,2R)-1-hydroxy-2-methylbutyl]-6-methylhexadecane-1,2,3-tricarboxylic acid
Also Known As: AAL Toxin TA1, 1,2,3-Propanetricarboxylicacid,1-[(1S,3S,9R,10S,12S)-13-amino-9,10,12-trihydroxy-1-[(1R,2R)-1-hydroxy-2-methylbutyl]-3-methyltridecyl]ester, (2R)-, (2R)-1-[(3R,4R,7S,13R,14S,16S)-17-AMINO-4,13,14,16-TETRAHYDROXY-3,7-DIMETHYLHEPTADECAN-5-YL]PROPANE-1,2,3-TRICARBOXYLIC ACID, (2R,6S,12R,13S,15S)-16-amino-12,13,15-trihydroxy-4-[(1R,2R)-1-hydroxy-2-methyl-butyl]-6-methyl-hexadecane-1,2,3-tricarboxylic acid, (2R,6S,12R,13S,15S)-16-amino-12,13,15-trihydroxy-4-[(1R,2R)-1-hydroxy-2-methylbutyl]-6-methylhexadecane-1,2,3-tricarboxylic acid
| Molecular Formula | C25H47NO10 |
|---|---|
| Molecular Weight | 521.32 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 219.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 21 |
| Exact Mass | 521.32 |
| Heavy Atoms | 36 |
| Complexity | 661.0 |
Chemical Identifiers
| CAS Number | 79367-52-5 |
|---|---|
| SMILES | CC[C@@H](C)[C@H](C(C[C@@H](C)CCCCC[C@H]([C@H](C[C@@H](CN)O)O)O)C([C@@H](CC(=O)O)C(=O)O)C(=O)O)O |
| InChIKey | JUDLIJIPXOXXNS-IMJXSTNRSA-N |
Product Overview
AAL Toxin TA1 (CAS 79367-52-5), with molecular formula C25H47NO10 and molecular weight 521.32 g/mol. IUPAC: (2R,6S,12R,13S,15S)-16-amino-12,13,15-trihydroxy-4-[(1R,2R)-1-hydroxy-2-methylbutyl]-6-methylhexadecane-1,2,3-tricarboxylic acid.
Chemical Property Profile of AAL Toxin TA1
Property Insights of AAL Toxin TA1
The XLogP value of -1.1 indicates that AAL Toxin TA1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 219.0 Ų indicates high polarity, suggesting AAL Toxin TA1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AAL Toxin TA1 has 8 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AAL Toxin TA1?
The CAS number of AAL Toxin TA1 is 79367-52-5.
What is the molecular formula of AAL Toxin TA1?
The molecular formula of AAL Toxin TA1 is C25H47NO10.
What is the molecular weight of AAL Toxin TA1?
The molecular weight of AAL Toxin TA1 is 521.32 g/mol.
Where can I buy AAL Toxin TA1?
You can request a quote for AAL Toxin TA1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AAL Toxin TA1?
Yes, KEHONG BIO provides custom synthesis services for AAL Toxin TA1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.