13,29-Dihydroxymilbemycin A4
TL;DR: 13,29-Dihydroxymilbemycin A4 (CAS 134053-89-7) is a chemical compound with molecular formula C32H46O9 and molecular weight 574.3142 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4S,5'S,6R,6'R,8R,10E,13S,14E,16E,20R,21R,24S)-6'-ethyl-12,21,24-trihydroxy-11-(hydroxymethyl)-5',13,22-trimethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
Also Known As: 13,29-Dihydroxymilbemycin A4, Milbemycin B,5-O-demethyl-28-deoxy-6,28-epoxy-25-ethyl-13,30-duhydroxy-,(6R,13R,25R), (4S,5'S,6R,6'R,8R,10E,13S,14E,16E,20R,21R,24S)-6'-ethyl-12,21,24-trihydroxy-11-(hydroxymethyl)-5',13,22-trimethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one, Milbemycin B, 5-O-demethyl-28-deoxy-6,28-epoxy-25-ethyl-13,30-duhydroxy-, (6R,13R,25R)-
Technical Specifications
| Molecular Formula | C32H46O9 |
| Molecular Weight | 574.3142 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 574.3142 Da |
| Heavy Atoms | 41 |
| Complexity | 1110.0 |
| SMILES | CC[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/C([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4(C(C=C([C@H]5O)C)C(=O)O3)O)C)O)\CO)C |
| InChIKey | QNRGVUGZBUINDR-VYHDBUIVSA-N |
Chemical Property Profile of 13,29-Dihydroxymilbemycin A4
Property Insights of 13,29-Dihydroxymilbemycin A4
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 13,29-Dihydroxymilbemycin A4. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 13,29-Dihydroxymilbemycin A4. Following Lipinski's Rule of Five, 13,29-Dihydroxymilbemycin A4 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 13,29-Dihydroxymilbemycin A4?
The CAS number of 13,29-Dihydroxymilbemycin A4 is 134053-89-7.
What is the molecular formula of 13,29-Dihydroxymilbemycin A4?
The molecular formula of 13,29-Dihydroxymilbemycin A4 is C32H46O9.
What is the molecular weight of 13,29-Dihydroxymilbemycin A4?
The molecular weight of 13,29-Dihydroxymilbemycin A4 is 574.3142 g/mol.
Where can I buy 13,29-Dihydroxymilbemycin A4?
You can request a quote for 13,29-Dihydroxymilbemycin A4 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 13,29-Dihydroxymilbemycin A4?
Yes, CoreyChem provides custom synthesis services for 13,29-Dihydroxymilbemycin A4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.