calonyctin A-2d
TL;DR: calonyctin A-2d (CAS 1836-19-7) is a chemical compound with molecular formula C45H78O20 and molecular weight 938.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6,25,26,32-tetrahydroxy-5,24,31-trimethyl-10-oxo-20-pentyl-33-(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-2d, DC-2d, [6,25,26,32-tetrahydroxy-5,24,31-trimethyl-10-oxo-20-pentyl-33-(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, 6,25,26,32-tetrahydroxy-5,24,31-trimethyl-10-oxo-20-pentyl-33-[(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), Hexadecanoic acid, 11-((O-6-deoxy-3-O-(3-hydroxy-2-methyl-1-oxobutyl)-beta-D-glucopyranosyl-(1-3)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-2))-O-6-deoxy-beta-D-glucopyranosyl-(1-2)-6-deoxy-beta-D-glucopyranosyl)oxy)-, intramol 1,2'''-ester
| Molecular Formula | C45H78O20 |
|---|---|
| Molecular Weight | 938.51 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 288.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 10 |
| Exact Mass | 938.50867 |
| Heavy Atoms | 65 |
| Complexity | 1440.0 |
Chemical Identifiers
| CAS Number | 1836-19-7 |
|---|---|
| SMILES | CCCCCC1CCCCCCCCCC(=O)OC2C(C(C(OC2OC3C(C(OC(C3OC4C(C(C(C(O4)C)O)O)O)OC5C(C(C(OC5O1)C)O)O)C)O)C)O)OC(=O)C(C)C(C)O |
| InChIKey | DRAKJGOJAYUMIJ-UHFFFAOYSA-N |
Product Overview
calonyctin A-2d (CAS 1836-19-7), with molecular formula C45H78O20 and molecular weight 938.51 g/mol. IUPAC: [6,25,26,32-tetrahydroxy-5,24,31-trimethyl-10-oxo-20-pentyl-33-(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-2d
Property Insights of calonyctin A-2d
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for calonyctin A-2d. The TPSA of 288.0 Ų indicates high polarity, suggesting calonyctin A-2d may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, calonyctin A-2d 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-2d?
The CAS number of calonyctin A-2d is 1836-19-7.
What is the molecular formula of calonyctin A-2d?
The molecular formula of calonyctin A-2d is C45H78O20.
What is the molecular weight of calonyctin A-2d?
The molecular weight of calonyctin A-2d is 938.51 g/mol.
Where can I buy calonyctin A-2d?
You can request a quote for calonyctin A-2d directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for calonyctin A-2d?
Yes, KEHONG BIO provides custom synthesis services for calonyctin A-2d and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.