1,4-Naphthalenedione, 8-hydroxy-2-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)-
TL;DR: 1,4-Naphthalenedione, 8-hydroxy-2-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)- (CAS 111364-61-5) is a chemical compound with molecular formula C24H24O13 and molecular weight 520.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(8-hydroxy-1,4-dioxonaphthalen-2-yl)oxyoxan-2-yl]methyl acetate
Also Known As: 1,4-Naphthalenedione, 8-hydroxy-2-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)-, 3-(Tetra-O-acetyl-beta-D-glucopyranosyloxy)-5-hydroxy-1,4-naphthoquinone, 8-Hydroxy-2-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)-1,4-naphthalenedione, [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(8-hydroxy-1,4-dioxonaphthalen-2-yl)oxyoxan-2-yl]methyl acetate, [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(8-hydroxy-1,4-dioxon
| Molecular Formula | C24H24O13 |
|---|---|
| Molecular Weight | 520.12 g/mol |
| LogP | 0.7548 |
| Topological Polar Surface Area | 178.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 520.1217 |
| Heavy Atoms | 37 |
| Complexity | 1167.1746 |
Chemical Identifiers
| CAS Number | 111364-61-5 |
|---|---|
| SMILES | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC(=O)C3=C(C2=O)C(=CC=C3)O)OC(=O)C)OC(=O)C)OC(=O)C |
Product Overview
1,4-Naphthalenedione, 8-hydroxy-2-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)- (CAS 111364-61-5), with molecular formula C24H24O13 and molecular weight 520.12 g/mol. IUPAC: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(8-hydroxy-1,4-dioxonaphthalen-2-yl)oxyoxan-2-yl]methyl acetate.
Chemical Property Profile of 1,4-Naphthalenedione, 8-hydroxy-2-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)-
Property Insights of 1,4-Naphthalenedione, 8-hydroxy-2-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)-
The XLogP value of 0.7548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Naphthalenedione, 8-hydroxy-2-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)-. The TPSA of 178.03 Ų indicates high polarity, suggesting 1,4-Naphthalenedione, 8-hydroxy-2-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 8-hydroxy-2-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)- has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4-Naphthalenedione, 8-hydroxy-2-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)-?
The CAS number of 1,4-Naphthalenedione, 8-hydroxy-2-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)- is 111364-61-5.
What is the molecular formula of 1,4-Naphthalenedione, 8-hydroxy-2-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)-?
The molecular formula of 1,4-Naphthalenedione, 8-hydroxy-2-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)- is C24H24O13.
What is the molecular weight of 1,4-Naphthalenedione, 8-hydroxy-2-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)-?
The molecular weight of 1,4-Naphthalenedione, 8-hydroxy-2-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)- is 520.12 g/mol.
Where can I buy 1,4-Naphthalenedione, 8-hydroxy-2-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)-?
You can request a quote for 1,4-Naphthalenedione, 8-hydroxy-2-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Naphthalenedione, 8-hydroxy-2-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthalenedione, 8-hydroxy-2-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.