Plumieride
TL;DR: Plumieride (CAS 511-89-7) is a chemical compound with molecular formula C21H26O12 and molecular weight 470.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,4aS,7R,7aS)-4'-[(1S)-1-hydroxyethyl]-5'-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate
Also Known As: Plumieride, agoniadin, Iridoid, 1alpha-Plumieride, PLUMIERIDE [MI]
| Molecular Formula | C21H26O12 |
|---|---|
| Molecular Weight | 470.14 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 470.14243 |
| Heavy Atoms | 33 |
| Complexity | 896.0 |
Chemical Identifiers
| CAS Number | 511-89-7 |
|---|---|
| SMILES | C[C@@H](C1=C[C@@]2(C=C[C@H]3[C@@H]2[C@@H](OC=C3C(=O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC1=O)O |
| InChIKey | AOPMSFXOYJXDNJ-IRFSQMTFSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Plumieride (CAS 511-89-7), with molecular formula C21H26O12 and molecular weight 470.14 g/mol. IUPAC: methyl (1S,4aS,7R,7aS)-4'-[(1S)-1-hydroxyethyl]-5'-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate.
Chemical Property Profile of Plumieride
Property Insights of Plumieride
The XLogP value of -1.2 indicates that Plumieride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 181.0 Ų indicates high polarity, suggesting Plumieride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Plumieride has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Plumieride?
The CAS number of Plumieride is 511-89-7.
What is the molecular formula of Plumieride?
The molecular formula of Plumieride is C21H26O12.
What is the molecular weight of Plumieride?
The molecular weight of Plumieride is 470.14 g/mol.
Where can I buy Plumieride?
You can request a quote for Plumieride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Plumieride?
Yes, KEHONG BIO provides custom synthesis services for Plumieride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.