Calonyctin A-2b
TL;DR: Calonyctin A-2b (CAS 18362-30-6) is a chemical compound with molecular formula C43H74O20 and molecular weight 910.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5R,6R,7S,22R,24R,25S,26S,27R,31R,32R,33S)-6,25,26,32-tetrahydroxy-5,24,31-trimethyl-10-oxo-20-propan-2-yl-33-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,4,9,21,23,28,30-heptaoxatetracyclo[27.3.1.03,8.022,27]tritriacontan-7-yl] 3-hydroxy-2-methylbutanoate
Also Known As: Calonyctin A-2b, DC-2b, KST-1A2205, [(3S,5R,6R,7S,22R,24R,25S,26S,27R,31R,32R,33S)-6,25,26,32-tetrahydroxy-5,24,31-trimethyl-10-oxo-20-propan-2-yl-33-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,4,9,21,23,28,30-heptaoxatetracyclo[27.3.1.03,8.022,27]tritriacontan-7-yl] 3-hydroxy-2-methylbutanoate, (3s,5r,6r,7s,22r,24r,25s,26s,27r,31r,32r,33s)-6,25,26,32-tetrahydroxy-5,24,31-trimethyl-10-oxo-20-(propan-2-yl)-33-{[(2s,3r,4r,5r,6r)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}-2,4,9,21,23,28,30-heptaoxatetracyclo[27.3.1.03,8.022,27]tritriacont-7-yl 3-hydroxy-2-methylbutanoate(non-preferred name)
| Molecular Formula | C43H74O20 |
|---|---|
| Molecular Weight | 910.48 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 288.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 7 |
| Exact Mass | 910.47736 |
| Heavy Atoms | 63 |
| Complexity | 1420.0 |
Chemical Identifiers
| CAS Number | 18362-30-6 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@@H]([C@@H]2[C@@H](O1)OC(CCCCCCCCCC(=O)OC3[C@H]([C@@H]([C@H](O[C@H]3OC4[C@@H]([C@H](OC([C@H]4O[C@H]5[C@@H]([C@@H]([C@H]([C@H](O5)C)O)O)O)O2)C)O)C)O)OC(=O)C(C)C(C)O)C(C)C)O)O |
| InChIKey | YMZMABJWBKTPSA-PGQLVXIPSA-N |
Product Overview
Calonyctin A-2b (CAS 18362-30-6), with molecular formula C43H74O20 and molecular weight 910.48 g/mol. IUPAC: [(3S,5R,6R,7S,22R,24R,25S,26S,27R,31R,32R,33S)-6,25,26,32-tetrahydroxy-5,24,31-trimethyl-10-oxo-20-propan-2-yl-33-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,4,9,21,23,28,30-heptaoxatetracyclo[27.3.1.03,8.022,27]tritriacontan-7-yl] 3-hydroxy-2-methylbutanoate.
Chemical Property Profile of Calonyctin A-2b
Property Insights of Calonyctin A-2b
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Calonyctin A-2b. The TPSA of 288.0 Ų indicates high polarity, suggesting Calonyctin A-2b may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calonyctin A-2b has 8 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Calonyctin A-2b?
The CAS number of Calonyctin A-2b is 18362-30-6.
What is the molecular formula of Calonyctin A-2b?
The molecular formula of Calonyctin A-2b is C43H74O20.
What is the molecular weight of Calonyctin A-2b?
The molecular weight of Calonyctin A-2b is 910.48 g/mol.
Where can I buy Calonyctin A-2b?
You can request a quote for Calonyctin A-2b directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calonyctin A-2b?
Yes, KEHONG BIO provides custom synthesis services for Calonyctin A-2b and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.