(6R,9R)-3-Oxo-Alpha-Ionol-Beta-D-Glucopyranoside
TL;DR: (6R,9R)-3-Oxo-Alpha-Ionol-Beta-D-Glucopyranoside (CAS 77699-19-5) is a chemical compound with molecular formula C19H30O7 and molecular weight 370.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-3,5,5-trimethyl-4-[(E,3R)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one
Also Known As: 3-Oxo-alpha-ionol glucoside, (6R,9R)-3-Oxo-alpha-ionol glucoside, (6R,9R)-3-Oxo-, A-ionol glucoside, (6R,9R)-3-Oxo-??-ionol glucoside
| Molecular Formula | C19H30O7 |
|---|---|
| Molecular Weight | 370.20 g/mol |
| LogP | 0.3091 |
| Topological Polar Surface Area | 116.45 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.19916 |
| Heavy Atoms | 26 |
| Complexity | 566.2349 |
Chemical Identifiers
| CAS Number | 77699-19-5 |
|---|---|
| SMILES | CC1=CC(=O)CC([C@H]1/C=C/[C@@H](C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)(C)C |
Product Overview
(6R,9R)-3-Oxo-Alpha-Ionol-Beta-D-Glucopyranoside (CAS 77699-19-5), with molecular formula C19H30O7 and molecular weight 370.20 g/mol. IUPAC: (4R)-3,5,5-trimethyl-4-[(E,3R)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one.
Chemical Property Profile of (6R,9R)-3-Oxo-Alpha-Ionol-Beta-D-Glucopyranoside
Property Insights of (6R,9R)-3-Oxo-Alpha-Ionol-Beta-D-Glucopyranoside
The XLogP value of 0.3091 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6R,9R)-3-Oxo-Alpha-Ionol-Beta-D-Glucopyranoside. The TPSA of 116.45 Ų falls within the moderate polarity range, balancing permeability and solubility for (6R,9R)-3-Oxo-Alpha-Ionol-Beta-D-Glucopyranoside. Following Lipinski's Rule of Five, (6R,9R)-3-Oxo-Alpha-Ionol-Beta-D-Glucopyranoside has 4 hydrogen bond donor(s) and 7 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 (6R,9R)-3-Oxo-Alpha-Ionol-Beta-D-Glucopyranoside?
The CAS number of (6R,9R)-3-Oxo-Alpha-Ionol-Beta-D-Glucopyranoside is 77699-19-5.
What is the molecular formula of (6R,9R)-3-Oxo-Alpha-Ionol-Beta-D-Glucopyranoside?
The molecular formula of (6R,9R)-3-Oxo-Alpha-Ionol-Beta-D-Glucopyranoside is C19H30O7.
What is the molecular weight of (6R,9R)-3-Oxo-Alpha-Ionol-Beta-D-Glucopyranoside?
The molecular weight of (6R,9R)-3-Oxo-Alpha-Ionol-Beta-D-Glucopyranoside is 370.20 g/mol.
Where can I buy (6R,9R)-3-Oxo-Alpha-Ionol-Beta-D-Glucopyranoside?
You can request a quote for (6R,9R)-3-Oxo-Alpha-Ionol-Beta-D-Glucopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6R,9R)-3-Oxo-Alpha-Ionol-Beta-D-Glucopyranoside?
Yes, KEHONG BIO provides custom synthesis services for (6R,9R)-3-Oxo-Alpha-Ionol-Beta-D-Glucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.