TL;DR: 3-Hydroxybutanoic acid-3-hydroxypentanoic acid(1:1) (CAS 80181-31-3) is a chemical compound with molecular formula C9H18O6 and molecular weight 222.11034 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-hydroxybutanoic acid;3-hydroxypentanoic acid
Also Known As: Biopol, Phb-phv copolymer, Phv-phb copolymer, PHBV, P(HB-co-HV)
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H18O6 |
| Molecular Weight | 222.11034 g/mol |
| XLogP | 0.07 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.11034 Da |
| Heavy Atoms | 15 |
| Complexity | 149.0 |
| SMILES | CCC(CC(=O)O)O.CC(CC(=O)O)O |
| InChIKey | IUPHTVOTTBREAV-UHFFFAOYSA-N |
The XLogP value of 0.07 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxybutanoic acid-3-hydroxypentanoic acid(1:1). The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxybutanoic acid-3-hydroxypentanoic acid(1:1). Following Lipinski's Rule of Five, 3-Hydroxybutanoic acid-3-hydroxypentanoic acid(1:1) has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Hydroxybutanoic acid-3-hydroxypentanoic acid(1:1) is 80181-31-3.
The molecular formula of 3-Hydroxybutanoic acid-3-hydroxypentanoic acid(1:1) is C9H18O6.
The molecular weight of 3-Hydroxybutanoic acid-3-hydroxypentanoic acid(1:1) is 222.11034 g/mol.
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