2-(beta-D-Glucopyranosyloxy)-1,6,7,8-tetramethoxy-3-methyl-9,10-anthracenedione
TL;DR: 2-(beta-D-Glucopyranosyloxy)-1,6,7,8-tetramethoxy-3-methyl-9,10-anthracenedione (CAS 96820-54-1) is a chemical compound with molecular formula C25H28O12 and molecular weight 520.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,8-tetramethoxy-6-methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
Also Known As: Chryso-obtusin glucoside, gluco-chrysoobtusin, gluco-chryso-obtusin, 2-gluco-chrysoobtusin, chryso-obtusin-2-glucoside
| Molecular Formula | C25H28O12 |
|---|---|
| Molecular Weight | 520.16 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 520.1581 |
| Heavy Atoms | 37 |
| Complexity | 823.0 |
Chemical Identifiers
| CAS Number | 96820-54-1 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC)C(=O)C4=C(C(=C(C=C4C2=O)OC)OC)OC |
| InChIKey | QBFJCZWBSLFTEE-UWBHIVAPSA-N |
Product Overview
2-(beta-D-Glucopyranosyloxy)-1,6,7,8-tetramethoxy-3-methyl-9,10-anthracenedione (CAS 96820-54-1), with molecular formula C25H28O12 and molecular weight 520.16 g/mol. IUPAC: 1,2,3,8-tetramethoxy-6-methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione.
Chemical Property Profile of 2-(beta-D-Glucopyranosyloxy)-1,6,7,8-tetramethoxy-3-methyl-9,10-anthracenedione
Property Insights of 2-(beta-D-Glucopyranosyloxy)-1,6,7,8-tetramethoxy-3-methyl-9,10-anthracenedione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(beta-D-Glucopyranosyloxy)-1,6,7,8-tetramethoxy-3-methyl-9,10-anthracenedione. The TPSA of 170.0 Ų indicates high polarity, suggesting 2-(beta-D-Glucopyranosyloxy)-1,6,7,8-tetramethoxy-3-methyl-9,10-anthracenedione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(beta-D-Glucopyranosyloxy)-1,6,7,8-tetramethoxy-3-methyl-9,10-anthracenedione has 4 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 2-(beta-D-Glucopyranosyloxy)-1,6,7,8-tetramethoxy-3-methyl-9,10-anthracenedione?
The CAS number of 2-(beta-D-Glucopyranosyloxy)-1,6,7,8-tetramethoxy-3-methyl-9,10-anthracenedione is 96820-54-1.
What is the molecular formula of 2-(beta-D-Glucopyranosyloxy)-1,6,7,8-tetramethoxy-3-methyl-9,10-anthracenedione?
The molecular formula of 2-(beta-D-Glucopyranosyloxy)-1,6,7,8-tetramethoxy-3-methyl-9,10-anthracenedione is C25H28O12.
What is the molecular weight of 2-(beta-D-Glucopyranosyloxy)-1,6,7,8-tetramethoxy-3-methyl-9,10-anthracenedione?
The molecular weight of 2-(beta-D-Glucopyranosyloxy)-1,6,7,8-tetramethoxy-3-methyl-9,10-anthracenedione is 520.16 g/mol.
Where can I buy 2-(beta-D-Glucopyranosyloxy)-1,6,7,8-tetramethoxy-3-methyl-9,10-anthracenedione?
You can request a quote for 2-(beta-D-Glucopyranosyloxy)-1,6,7,8-tetramethoxy-3-methyl-9,10-anthracenedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(beta-D-Glucopyranosyloxy)-1,6,7,8-tetramethoxy-3-methyl-9,10-anthracenedione?
Yes, KEHONG BIO provides custom synthesis services for 2-(beta-D-Glucopyranosyloxy)-1,6,7,8-tetramethoxy-3-methyl-9,10-anthracenedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.