TL;DR: 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-, (2R,3R,4S)- (CAS 105991-69-3) is a chemical compound with molecular formula C5H11NO3 and molecular weight 133.0739 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3R,4S)-2-(hydroxymethyl)pyrrolidine-3,4-diol
Also Known As: IMINORIBITOL, DRib, 1,4-Dideoxy-1,4-imino-D-ribitol, (2R,3R,4S)-2-(hydroxymethyl)pyrrolidine-3,4-diol, 1,4-Imino-1,4-dideoxy-D-ribitol
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C5H11NO3 |
| Molecular Weight | 133.0739 g/mol |
| XLogP | -1.7 |
| Topological Polar Surface Area (TPSA) | 72.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 133.0739 Da |
| Heavy Atoms | 9 |
| Complexity | 98.0 |
| SMILES | C1[C@@H]([C@@H]([C@H](N1)CO)O)O |
| InChIKey | OQEBIHBLFRADNM-MROZADKFSA-N |
The XLogP value of -1.7 indicates that 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-, (2R,3R,4S)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-, (2R,3R,4S)-. Following Lipinski's Rule of Five, 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-, (2R,3R,4S)- has 4 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 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-, (2R,3R,4S)- is 105991-69-3.
The molecular formula of 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-, (2R,3R,4S)- is C5H11NO3.
The molecular weight of 3,4-Pyrrolidinediol, 2-(hydroxymethyl)-, (2R,3R,4S)- is 133.0739 g/mol.
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