Mussaenoside
TL;DR: Mussaenoside (CAS 64421-27-8) is a chemical compound with molecular formula C17H26O10 and molecular weight 390.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,4aS,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
Also Known As: Mussaenoside, methyl (1S,4aS,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate, (1S,4aS,7S,7aS)-Methyl 7-hydroxy-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate, (1S,7S)-1-(beta-D-Glucopyranosyloxy)-1,4aalpha,5,6,7,7aalpha-hexahydro-7-hydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester, Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-hydroxy-7-methyl-,methyl ester, (1S,4aS,7S,7aS)-
| Molecular Formula | C17H26O10 |
|---|---|
| Molecular Weight | 390.15 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.1526 |
| Heavy Atoms | 27 |
| Complexity | 594.0 |
Chemical Identifiers
| CAS Number | 64421-27-8 |
|---|---|
| SMILES | C[C@@]1(CC[C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O |
| InChIKey | XBGJTRDIWPEIMG-DUMNYRKASA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mussaenoside (CAS 64421-27-8), with molecular formula C17H26O10 and molecular weight 390.15 g/mol. IUPAC: methyl (1S,4aS,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate.
Chemical Property Profile of Mussaenoside
Property Insights of Mussaenoside
The XLogP value of -1.6 indicates that Mussaenoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.0 Ų indicates high polarity, suggesting Mussaenoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mussaenoside has 5 hydrogen bond donor(s) and 10 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 Mussaenoside?
The CAS number of Mussaenoside is 64421-27-8.
What is the molecular formula of Mussaenoside?
The molecular formula of Mussaenoside is C17H26O10.
What is the molecular weight of Mussaenoside?
The molecular weight of Mussaenoside is 390.15 g/mol.
Where can I buy Mussaenoside?
You can request a quote for Mussaenoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mussaenoside?
Yes, KEHONG BIO provides custom synthesis services for Mussaenoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.