TL;DR: Virginiamycin butanolide D (CAS 125761-52-6) is a chemical compound with molecular formula C12H22O4 and molecular weight 230.15181 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1-hydroxyheptyl)-4-(hydroxymethyl)oxolan-2-one
Also Known As: Virginiamycin butanolide D, 3-(1-hydroxyheptyl)-4-(hydroxymethyl)oxolan-2-one, J2.441.696H, 3-(Hydroxymethyl)-4-(1-hydroxyheptyl)tetrahydrofuran-5-one
| Molecular Formula | C12H22O4 |
| Molecular Weight | 230.15181 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 230.15181 Da |
| Heavy Atoms | 16 |
| Complexity | 217.0 |
| SMILES | CCCCCCC(C1C(COC1=O)CO)O |
| InChIKey | JWZVDINGVWOBKH-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Virginiamycin butanolide D. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Virginiamycin butanolide D. Following Lipinski's Rule of Five, Virginiamycin butanolide D has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Virginiamycin butanolide D is 125761-52-6.
The molecular formula of Virginiamycin butanolide D is C12H22O4.
The molecular weight of Virginiamycin butanolide D is 230.15181 g/mol.
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