Daunomycinone-S
TL;DR: Daunomycinone-S (CAS 80930-61-6) is a chemical compound with molecular formula C35H43NO13 and molecular weight 685.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-acetyl-7-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Daunomycinone-S, Daunomycinone S, 7-O-(O-(2-Deoxy-alpha-L-fucosyl)-(1-4)-alpha-L-rhodosaminyl)daunomycinone, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-1-methoxy-10-((2,3,6-trideoxy-4-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-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 2,3,6-trideoxy-4-O-(2,6-dideoxyhexopyranosyl)-3-(dimethylamino)hexopyranoside
| Molecular Formula | C35H43NO13 |
|---|---|
| Molecular Weight | 685.27 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 685.27344 |
| Heavy Atoms | 49 |
| Complexity | 1250.0 |
Chemical Identifiers
| CAS Number | 80930-61-6 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2C(OC(CC2N(C)C)OC3CC(CC4=C3C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=CC=C6)OC)O)(C(=O)C)O)C)O)O |
| InChIKey | MRYGUWQBHYEANU-UHFFFAOYSA-N |
Product Overview
Daunomycinone-S (CAS 80930-61-6), with molecular formula C35H43NO13 and molecular weight 685.27 g/mol. IUPAC: 9-acetyl-7-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of Daunomycinone-S
Property Insights of Daunomycinone-S
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Daunomycinone-S. The TPSA of 202.0 Ų indicates high polarity, suggesting Daunomycinone-S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Daunomycinone-S has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Daunomycinone-S?
The CAS number of Daunomycinone-S is 80930-61-6.
What is the molecular formula of Daunomycinone-S?
The molecular formula of Daunomycinone-S is C35H43NO13.
What is the molecular weight of Daunomycinone-S?
The molecular weight of Daunomycinone-S is 685.27 g/mol.
Where can I buy Daunomycinone-S?
You can request a quote for Daunomycinone-S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Daunomycinone-S?
Yes, KEHONG BIO provides custom synthesis services for Daunomycinone-S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.