Daunomycinone-K
TL;DR: Daunomycinone-K (CAS 80930-63-8) is a chemical compound with molecular formula C39H47NO15 and molecular weight 769.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-acetyl-7-[4-amino-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Daunomycinone-K, Daunomycinone K, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((3-amino-2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-alpha-L-lyxo-hexopyranosyl)oxy)-1-methoxy-6,8,11-trihydroxy-, (8S-cis)-, 3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-(6-methyl-5-oxooxan-2-yl)hexopyranosyl]hexopyranoside, 9-acetyl-7-[4-amino-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
| Molecular Formula | C39H47NO15 |
|---|---|
| Molecular Weight | 769.29 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 240.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 769.29456 |
| Heavy Atoms | 55 |
| Complexity | 1460.0 |
Chemical Identifiers
| CAS Number | 80930-63-8 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O |
| InChIKey | XGOSBPLMSNDLKO-UHFFFAOYSA-N |
Product Overview
Daunomycinone-K (CAS 80930-63-8), with molecular formula C39H47NO15 and molecular weight 769.29 g/mol. IUPAC: 9-acetyl-7-[4-amino-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of Daunomycinone-K
Property Insights of Daunomycinone-K
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Daunomycinone-K. The TPSA of 240.0 Ų indicates high polarity, suggesting Daunomycinone-K may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Daunomycinone-K has 5 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Daunomycinone-K?
The CAS number of Daunomycinone-K is 80930-63-8.
What is the molecular formula of Daunomycinone-K?
The molecular formula of Daunomycinone-K is C39H47NO15.
What is the molecular weight of Daunomycinone-K?
The molecular weight of Daunomycinone-K is 769.29 g/mol.
Where can I buy Daunomycinone-K?
You can request a quote for Daunomycinone-K directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Daunomycinone-K?
Yes, KEHONG BIO provides custom synthesis services for Daunomycinone-K and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.