TL;DR: VM 44865 (CAS 115021-84-6) is a chemical compound with molecular formula C40H56O10 and molecular weight 696.3873 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-trimethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-22-yl]methyl (E)-2-methylbut-2-enoate
Also Known As: VM 44865, [(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-trimethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-22-yl]methyl (E)-2-methylbut-2-enoate, Milbemycin B, 28-deoxy-6,28-epoxy-22-hydroxy-26-((2-methyl-1-oxo-2-butenyl)oxy)-25-(1-methyl-1-propenyl)-
| Molecular Formula | C40H56O10 |
| Molecular Weight | 696.3873 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 696.3873 Da |
| Heavy Atoms | 50 |
| Complexity | 1470.0 |
| 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)COC(=O)/C(=C/C)/C)C(=O)O3)O)C)\C)O)C |
| InChIKey | NSZTYARPRNHEHV-HLBMIVEKSA-N |
The XLogP value of 4.3 indicates that VM 44865 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for VM 44865. Following Lipinski's Rule of Five, VM 44865 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of VM 44865 is 115021-84-6.
The molecular formula of VM 44865 is C40H56O10.
The molecular weight of VM 44865 is 696.3873 g/mol.
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