Tricolorin A
TL;DR: Tricolorin A (CAS 1784-70-9) is a chemical compound with molecular formula C50H86O21 and molecular weight 1022.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S,4R,5R,6S)-2-methyl-5-[(2S)-2-methylbutanoyl]oxy-6-[[(1S,3R,4S,5R,6R,8R,10S,22S,23R,24R)-4,5,23-trihydroxy-24-(hydroxymethyl)-6-methyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-26-yl]oxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (2S)-2-methylbutanoate
Also Known As: Tricolorin A, KST-1A2097, (2s,3s,4r,5r,6s)-2-methyl-6-{[(1s,3r,4s,5r,6r,8r,10s,22s,23r,24r)-4,5,23-trihydroxy-24-(hydroxymethyl)-6-methyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacos-26-yl]oxy}-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}tetrahydro-2h-pyran-3,5-diyl(2s,2's)bis(2-methylbutanoate)(non-preferred name), [(2S,3S,4R,5R,6S)-2-Methyl-5-[(2S)-2-methylbutanoyl]oxy-6-[[(1S,3R,4S,5R,6R,8R,10S,22S,23R,24R)-4,5,23-trihydroxy-24-(hydroxymethyl)-6-methyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-26-yl]oxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (2S)-2-methylbutanoate, (11)-Intramol. 1,3''-11-((O-6-deoxy-alpha-L-mannopyranosyl-(1-3)-O-6-deoxy-2,4-bis-O-((2S)-2-methyl-1-oxobutyl)-alpha-L-manopyrannosyl-(1-2)-O-beta-D-glucopyranosyl-(1-2)-6-deoxy-beta-D-galactopyranosyl)oxy)hexadecanoate
| Molecular Formula | C50H86O21 |
|---|---|
| Molecular Weight | 1022.57 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 294.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 17 |
| Exact Mass | 1022.56616 |
| Heavy Atoms | 71 |
| Complexity | 1610.0 |
Chemical Identifiers
| CAS Number | 1784-70-9 |
|---|---|
| SMILES | CCCCC[C@H]1CCCCCCCCCC(=O)O[C@H]2[C@@H]([C@H](O[C@H](C2O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)OC(=O)[C@@H](C)CC)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O)OC(=O)[C@@H](C)CC)O[C@@H]5[C@H]([C@H]([C@H](O[C@H]5O1)C)O)O)CO)O |
| InChIKey | DWBKNMQALHFQLC-NAJXRQGXSA-N |
Product Overview
Tricolorin A (CAS 1784-70-9), with molecular formula C50H86O21 and molecular weight 1022.57 g/mol. IUPAC: [(2S,3S,4R,5R,6S)-2-methyl-5-[(2S)-2-methylbutanoyl]oxy-6-[[(1S,3R,4S,5R,6R,8R,10S,22S,23R,24R)-4,5,23-trihydroxy-24-(hydroxymethyl)-6-methyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-26-yl]oxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (2S)-2-methylbutanoate.
Chemical Property Profile of Tricolorin A
Property Insights of Tricolorin A
The XLogP value of 5.1 indicates that Tricolorin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 294.0 Ų indicates high polarity, suggesting Tricolorin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tricolorin A has 7 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tricolorin A?
The CAS number of Tricolorin A is 1784-70-9.
What is the molecular formula of Tricolorin A?
The molecular formula of Tricolorin A is C50H86O21.
What is the molecular weight of Tricolorin A?
The molecular weight of Tricolorin A is 1022.57 g/mol.
Where can I buy Tricolorin A?
You can request a quote for Tricolorin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tricolorin A?
Yes, KEHONG BIO provides custom synthesis services for Tricolorin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.