Ergokonin C
TL;DR: Ergokonin C (CAS 139471-01-5) is a chemical compound with molecular formula C32H49NO6 and molecular weight 543.356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,2R,5S,7S,9R,10R,15S,16S)-5-(2-amino-2-methylpropanoyl)oxy-15-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10-hydroxy-2-methyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-11-ene-16-carboxylic acid
Also Known As: Ergokonin C, (1S,2R,5S,7S,9R,10R,15S,16S)-5-(2-amino-2-methylpropanoyl)oxy-15-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10-hydroxy-2-methyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-11-ene-16-carboxylic acid, Ergosta-8(14),22-dien-18-oic acid, 3-(2-amino-2-methyl-1-oxopropoxy)-5,6-epoxy-7-hydroxy-, (3beta,5alpha,6alpha,7beta,22E)-
Technical Specifications
| Molecular Formula | C32H49NO6 |
| Molecular Weight | 543.356 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 543.356 Da |
| Heavy Atoms | 39 |
| Complexity | 1090.0 |
| SMILES | C[C@H](/C=C/[C@H](C)C(C)C)[C@@H]1CCC2=C3[C@H](CC[C@]12C(=O)O)[C@]4(CC[C@@H](C[C@@]45[C@@H]([C@@H]3O)O5)OC(=O)C(C)(C)N)C |
| InChIKey | YYOVEXZGHBXNOO-FLBCEDPUSA-N |
Chemical Property Profile of Ergokonin C
Property Insights of Ergokonin C
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ergokonin C. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ergokonin C. Following Lipinski's Rule of Five, Ergokonin C has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Ergokonin C?
The CAS number of Ergokonin C is 139471-01-5.
What is the molecular formula of Ergokonin C?
The molecular formula of Ergokonin C is C32H49NO6.
What is the molecular weight of Ergokonin C?
The molecular weight of Ergokonin C is 543.356 g/mol.
Where can I buy Ergokonin C?
You can request a quote for Ergokonin C directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ergokonin C?
Yes, CoreyChem provides custom synthesis services for Ergokonin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.