C24H24O13.1/2H2O
TL;DR: C24H24O13.1/2H2O (CAS 111364-60-4) 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-(5-hydroxy-1,4-dioxonaphthalen-2-yl)oxyoxan-2-yl]methyl acetate
Also Known As: C24H24O13.1/2H2O, 1,4-Naphthalenedione, 5-hydroxy-2-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)-, C24-H24-O13.1/2H2-O, 2-(Tetra-O-acetyl-beta-D-glucopyranosyloxy)-5-hydroxy-1,4-naphthoquinone hemihydrate, 5-Hydroxy-2-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)-1,4-naphthalenedione
| 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 | 111364-60-4 |
|---|---|
| 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=C3O)OC(=O)C)OC(=O)C)OC(=O)C |
Product Overview
C24H24O13.1/2H2O (CAS 111364-60-4), with molecular formula C24H24O13 and molecular weight 520.12 g/mol. IUPAC: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(5-hydroxy-1,4-dioxonaphthalen-2-yl)oxyoxan-2-yl]methyl acetate.
Chemical Property Profile of C24H24O13.1/2H2O
Property Insights of C24H24O13.1/2H2O
The XLogP value of 0.7548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C24H24O13.1/2H2O. The TPSA of 178.03 Ų indicates high polarity, suggesting C24H24O13.1/2H2O may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C24H24O13.1/2H2O 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 C24H24O13.1/2H2O?
The CAS number of C24H24O13.1/2H2O is 111364-60-4.
What is the molecular formula of C24H24O13.1/2H2O?
The molecular formula of C24H24O13.1/2H2O is C24H24O13.
What is the molecular weight of C24H24O13.1/2H2O?
The molecular weight of C24H24O13.1/2H2O is 520.12 g/mol.
Where can I buy C24H24O13.1/2H2O?
You can request a quote for C24H24O13.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C24H24O13.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C24H24O13.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.