1,4-Dideoxy-1,4-imino-D-allitol
TL;DR: 1,4-Dideoxy-1,4-imino-D-allitol (CAS 117770-14-6) is a chemical compound with molecular formula C6H13NO4 and molecular weight 163.08446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidine-3,4-diol
Also Known As: 1,4-Dideoxy-1,4-imino-D-allitol, 3,4-Pyrrolidinediol, 2-(1,2-dihydroxyethyl)-, (2R-(2alpha(S*),3beta,4beta))-, DiA, (2R,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidine-3,4-diol
Technical Specifications
| Molecular Formula | C6H13NO4 |
| Molecular Weight | 163.08446 g/mol |
| XLogP | -2.3 |
| Topological Polar Surface Area (TPSA) | 93.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.08446 Da |
| Heavy Atoms | 11 |
| Complexity | 132.0 |
| SMILES | C1[C@@H]([C@@H]([C@H](N1)[C@H](CO)O)O)O |
| InChIKey | RVNSAAIWCWTCTJ-AZGQCCRYSA-N |
Chemical Property Profile of 1,4-Dideoxy-1,4-imino-D-allitol
Property Insights of 1,4-Dideoxy-1,4-imino-D-allitol
The XLogP value of -2.3 indicates that 1,4-Dideoxy-1,4-imino-D-allitol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dideoxy-1,4-imino-D-allitol. Following Lipinski's Rule of Five, 1,4-Dideoxy-1,4-imino-D-allitol has 5 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,4-Dideoxy-1,4-imino-D-allitol?
The CAS number of 1,4-Dideoxy-1,4-imino-D-allitol is 117770-14-6.
What is the molecular formula of 1,4-Dideoxy-1,4-imino-D-allitol?
The molecular formula of 1,4-Dideoxy-1,4-imino-D-allitol is C6H13NO4.
What is the molecular weight of 1,4-Dideoxy-1,4-imino-D-allitol?
The molecular weight of 1,4-Dideoxy-1,4-imino-D-allitol is 163.08446 g/mol.
Where can I buy 1,4-Dideoxy-1,4-imino-D-allitol?
You can request a quote for 1,4-Dideoxy-1,4-imino-D-allitol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Dideoxy-1,4-imino-D-allitol?
Yes, CoreyChem provides custom synthesis services for 1,4-Dideoxy-1,4-imino-D-allitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.