TL;DR: 3,4-Diaminopentane-1,2,5-triol (CAS 151716-49-3) is a chemical compound with molecular formula C5H14N2O3 and molecular weight 150.10045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4-diaminopentane-1,2,5-triol
Also Known As: 3,4-diaminopentane-1,2,5-triol, D-Xylitol, 3,4-diamino-3,4-dideoxy- (9CI)
| Molecular Formula | C5H14N2O3 |
| Molecular Weight | 150.10045 g/mol |
| XLogP | -3.5 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 150.10045 Da |
| Heavy Atoms | 10 |
| Complexity | 91.0 |
| SMILES | C(C(C(C(CO)O)N)N)O |
| InChIKey | HPGQGFIGUGXJLA-UHFFFAOYSA-N |
The XLogP value of -3.5 indicates that 3,4-Diaminopentane-1,2,5-triol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Diaminopentane-1,2,5-triol. Following Lipinski's Rule of Five, 3,4-Diaminopentane-1,2,5-triol has 5 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3,4-Diaminopentane-1,2,5-triol is 151716-49-3.
The molecular formula of 3,4-Diaminopentane-1,2,5-triol is C5H14N2O3.
The molecular weight of 3,4-Diaminopentane-1,2,5-triol is 150.10045 g/mol.
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