13-O-Desmethylascomycin
TL;DR: 13-O-Desmethylascomycin (CAS 153781-48-7) is a chemical compound with molecular formula C42H67NO12 and molecular weight 777.4663 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,9S,12S,13R,14S,17R,18E,21S,23S,24S,25S,27R)-17-ethyl-1,14,25-trihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23-methoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
Also Known As: 13-O-Desmethylascomycin, 13-O-Desmethylimmunomycin, (1R,9S,12S,13R,14S,17R,18E,21S,23S,24S,25S,27R)-17-ethyl-1,14,25-trihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23-methoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone, 15,19-Epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 8-ethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,16,19-trihydroxy-3-(2-(3-hydroxy-4-methoxycyclohexyl)-1-methylethenyl)-14-methoxy-4,10,12,18-tetramethyl-, (3S-(3R*(E(1S*,3S*,4S*)),4S*,5R*,8S*,9E,12R*,14R*,15R*,16R*,18S*,19S*,26aR*))-
Technical Specifications
| Molecular Formula | C42H67NO12 |
| Molecular Weight | 777.4663 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 189.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 777.4663 Da |
| Heavy Atoms | 55 |
| Complexity | 1410.0 |
| SMILES | CC[C@@H]1/C=C(/C[C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)O)OC)C)\C |
| InChIKey | OKCJYZYYAWVAHA-CTVWFBRYSA-N |
Chemical Property Profile of 13-O-Desmethylascomycin
Property Insights of 13-O-Desmethylascomycin
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 13-O-Desmethylascomycin. The TPSA of 189.0 Ų indicates high polarity, suggesting 13-O-Desmethylascomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 13-O-Desmethylascomycin has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 13-O-Desmethylascomycin?
The CAS number of 13-O-Desmethylascomycin is 153781-48-7.
What is the molecular formula of 13-O-Desmethylascomycin?
The molecular formula of 13-O-Desmethylascomycin is C42H67NO12.
What is the molecular weight of 13-O-Desmethylascomycin?
The molecular weight of 13-O-Desmethylascomycin is 777.4663 g/mol.
Where can I buy 13-O-Desmethylascomycin?
You can request a quote for 13-O-Desmethylascomycin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 13-O-Desmethylascomycin?
Yes, CoreyChem provides custom synthesis services for 13-O-Desmethylascomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.