6-O-Acetylscandoside
TL;DR: 6-O-Acetylscandoside (CAS 118292-15-2) is a chemical compound with molecular formula C18H24O12 and molecular weight 432.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4aS,5R,7aS)-5-acetyloxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
Also Known As: 6-O-Acetylscandoside, J1.742.634F, (1S,4aS,5R,7aS)-5-acetyloxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid, (1S)-1,4aalpha,5,7aalpha-Tetrahydro-1alpha-(beta-D-glucopyranosyloxy)-5alpha-acetoxy-7-(hydroxymethyl)cyclopenta[c]pyran-4-carboxylic acid, (1S)-1alpha-(beta-D-Glucopyranosyloxy)-5alpha-acetoxy-7-(hydroxymethyl)-1,4aalpha,5,7aalpha-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
| Molecular Formula | C18H24O12 |
|---|---|
| Molecular Weight | 432.13 g/mol |
| LogP | -2.7759 |
| Topological Polar Surface Area | 192.44 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.12677 |
| Heavy Atoms | 30 |
| Complexity | 730.67847 |
Chemical Identifiers
| CAS Number | 118292-15-2 |
|---|---|
| SMILES | CC(=O)O[C@@H]1C=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 |
Product Overview
6-O-Acetylscandoside (CAS 118292-15-2), with molecular formula C18H24O12 and molecular weight 432.13 g/mol. IUPAC: (1S,4aS,5R,7aS)-5-acetyloxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid.
Chemical Property Profile of 6-O-Acetylscandoside
Property Insights of 6-O-Acetylscandoside
The XLogP value of -2.7759 indicates that 6-O-Acetylscandoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 192.44 Ų indicates high polarity, suggesting 6-O-Acetylscandoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-O-Acetylscandoside 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 6-O-Acetylscandoside?
The CAS number of 6-O-Acetylscandoside is 118292-15-2.
What is the molecular formula of 6-O-Acetylscandoside?
The molecular formula of 6-O-Acetylscandoside is C18H24O12.
What is the molecular weight of 6-O-Acetylscandoside?
The molecular weight of 6-O-Acetylscandoside is 432.13 g/mol.
Where can I buy 6-O-Acetylscandoside?
You can request a quote for 6-O-Acetylscandoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-O-Acetylscandoside?
Yes, KEHONG BIO provides custom synthesis services for 6-O-Acetylscandoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.