TL;DR: VM 44864 (CAS 115008-94-1) is a chemical compound with molecular formula C35H50O8 and molecular weight 598.3506 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3'R,4S,5'S,6S,6'S,8R,10E,13R,14E,16E,20R,21R,24S)-6'-[(E)-but-2-en-2-yl]-3',24-dihydroxy-21-methoxy-5',11,13,22-tetramethylspiro[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: VM 44864, (3'R,4S,5'S,6S,6'S,8R,10E,13R,14E,16E,20R,21R,24S)-6'-[(E)-But-2-en-2-yl]-3',24-dihydroxy-21-methoxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one, Milbemycin B, 28-deoxy-6,28-epoxy-22-hydroxy-25-(1-methyl-1-propenyl)-, (6R,22R,25S(E))-
| Molecular Formula | C35H50O8 |
| Molecular Weight | 598.3506 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 598.3506 Da |
| Heavy Atoms | 43 |
| Complexity | 1210.0 |
| SMILES | C/C=C(\C)/[C@@H]1[C@H](C[C@H]([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]5OC)C)C(=O)O3)O)C)\C)O)C |
| InChIKey | GECMPKVUETUUQS-IDMUAULZSA-N |
The XLogP value of 3.8 indicates that VM 44864 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for VM 44864. Following Lipinski's Rule of Five, VM 44864 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of VM 44864 is 115008-94-1.
The molecular formula of VM 44864 is C35H50O8.
The molecular weight of VM 44864 is 598.3506 g/mol.
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