3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2S,3S,4S,5S)-
TL;DR: 3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2S,3S,4S,5S)- (CAS 118464-54-3) is a chemical compound with molecular formula C6H13NO4 and molecular weight 163.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol
Also Known As: L-Deoxymannojirimycin, LDMJ, 1hxk, Deoxy-L-mannojirimycin, deoxymannojirimycin(1)
| Molecular Formula | C6H13NO4 |
|---|---|
| Molecular Weight | 163.08 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 93.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.08446 |
| Heavy Atoms | 11 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 118464-54-3 |
|---|---|
| SMILES | C1[C@@H]([C@@H]([C@H]([C@@H](N1)CO)O)O)O |
| InChIKey | LXBIFEVIBLOUGU-BXKVDMCESA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2S,3S,4S,5S)- (CAS 118464-54-3), with molecular formula C6H13NO4 and molecular weight 163.08 g/mol. IUPAC: (2S,3S,4S,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol.
Chemical Property Profile of 3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2S,3S,4S,5S)-
Property Insights of 3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2S,3S,4S,5S)-
The XLogP value of -2.3 indicates that 3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2S,3S,4S,5S)- 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 3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2S,3S,4S,5S)-. Following Lipinski's Rule of Five, 3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2S,3S,4S,5S)- 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
Frequently Asked Questions
What is the CAS number of 3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2S,3S,4S,5S)-?
The CAS number of 3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2S,3S,4S,5S)- is 118464-54-3.
What is the molecular formula of 3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2S,3S,4S,5S)-?
The molecular formula of 3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2S,3S,4S,5S)- is C6H13NO4.
What is the molecular weight of 3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2S,3S,4S,5S)-?
The molecular weight of 3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2S,3S,4S,5S)- is 163.08 g/mol.
Where can I buy 3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2S,3S,4S,5S)-?
You can request a quote for 3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2S,3S,4S,5S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2S,3S,4S,5S)-?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2S,3S,4S,5S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.