Monotropein
TL;DR: Monotropein (CAS 5945-50-6) is a chemical compound with molecular formula C16H22O11 and molecular weight 390.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4aS,7R,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid
Also Known As: Monotropein, Monotropeine, Monotropein CRS, Monotropein (Standard), MONOTROPEIN [MI]
| Molecular Formula | C16H22O11 |
|---|---|
| Molecular Weight | 390.12 g/mol |
| LogP | -3.1 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.1162 |
| Heavy Atoms | 27 |
| Complexity | 634.0 |
Chemical Identifiers
| CAS Number | 5945-50-6 |
|---|---|
| SMILES | C1=C[C@@]([C@@H]2[C@H]1C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O)(CO)O |
| InChIKey | HPWWQPXTUDMRBI-NJPMDSMTSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Monotropein (CAS 5945-50-6), with molecular formula C16H22O11 and molecular weight 390.12 g/mol. IUPAC: (1S,4aS,7R,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid.
Chemical Property Profile of Monotropein
Property Insights of Monotropein
The XLogP value of -3.1 indicates that Monotropein is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 186.0 Ų indicates high polarity, suggesting Monotropein may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Monotropein has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Monotropein?
The CAS number of Monotropein is 5945-50-6.
What is the molecular formula of Monotropein?
The molecular formula of Monotropein is C16H22O11.
What is the molecular weight of Monotropein?
The molecular weight of Monotropein is 390.12 g/mol.
Where can I buy Monotropein?
You can request a quote for Monotropein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Monotropein?
Yes, KEHONG BIO provides custom synthesis services for Monotropein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.