6Beta-Hydroxyloganin
TL;DR: 6Beta-Hydroxyloganin (CAS 84395-22-2) is a chemical compound with molecular formula C17H26O11 and molecular weight 406.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,4aS,5S,6R,7R,7aR)-5,6-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
Also Known As: 6beta-hydroxyloganin, Loganin, 6-.beta.-hydroxy-, Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5,6-dihydroxy-7-methyl-, methyl ester, (1S-(1alpha,4aalpha,5alpha,6alpha,7alpha,7aalpha))-, methyl (1S,4aS,5S,6R,7R,7aR)-5,6-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate, methyl (1S,4aS,5S,6R,7R,7aR)-5,6-dihydroxy-7-methyl-1-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-1,4a,5,6,7,7a-hexahydrocyclopenta(c)pyran-4-carboxylate
| Molecular Formula | C17H26O11 |
|---|---|
| Molecular Weight | 406.15 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.14752 |
| Heavy Atoms | 28 |
| Complexity | 610.0 |
Chemical Identifiers
| CAS Number | 84395-22-2 |
|---|---|
| SMILES | C[C@@H]1[C@@H]2[C@H]([C@@H]([C@@H]1O)O)C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)OC |
| InChIKey | QDEYKGKBMCIYCT-AZPIFPLPSA-N |
Product Overview
6Beta-Hydroxyloganin (CAS 84395-22-2), with molecular formula C17H26O11 and molecular weight 406.15 g/mol. IUPAC: methyl (1S,4aS,5S,6R,7R,7aR)-5,6-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate.
Chemical Property Profile of 6Beta-Hydroxyloganin
Property Insights of 6Beta-Hydroxyloganin
The XLogP value of -2.4 indicates that 6Beta-Hydroxyloganin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 175.0 Ų indicates high polarity, suggesting 6Beta-Hydroxyloganin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6Beta-Hydroxyloganin has 6 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 6Beta-Hydroxyloganin?
The CAS number of 6Beta-Hydroxyloganin is 84395-22-2.
What is the molecular formula of 6Beta-Hydroxyloganin?
The molecular formula of 6Beta-Hydroxyloganin is C17H26O11.
What is the molecular weight of 6Beta-Hydroxyloganin?
The molecular weight of 6Beta-Hydroxyloganin is 406.15 g/mol.
Where can I buy 6Beta-Hydroxyloganin?
You can request a quote for 6Beta-Hydroxyloganin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6Beta-Hydroxyloganin?
Yes, KEHONG BIO provides custom synthesis services for 6Beta-Hydroxyloganin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.