5,12-naphthacenedione, 8-acetyl-10-((3-(9-(aminoacetyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, monohydrochloride, (8S-cis)-
TL;DR: 5,12-naphthacenedione, 8-acetyl-10-((3-(9-(aminoacetyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, monohydrochloride, (8S-cis)- (CAS 59708-08-6) is a chemical compound with molecular formula C29H33ClN2O11 and molecular weight 620.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]-2-aminoacetamide;hydrochloride
Also Known As: 5,12-naphthacenedione, 8-acetyl-10-((3-(9-(aminoacetyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, monohydrochloride, (8S-cis)-, 8-Acetyl-10-((3-(9-(aminoacetyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione monohydrochloride, (8S-cis)-, 5,12-Naphthacenedione, 8-acetyl-10-[[3-[(aminoacetyl)amino]-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, monohydrochloride, (8S-cis)-, N-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]-2-aminoacetamide hydrochloride
| Molecular Formula | C29H33ClN2O11 |
|---|---|
| Molecular Weight | 620.18 g/mol |
| LogP | 0.5669 |
| Topological Polar Surface Area | 215.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 620.1773 |
| Heavy Atoms | 43 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 59708-08-6 |
|---|---|
| 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)NC(=O)CN)O.Cl |
| InChIKey | ZWTGAZUKRYEYQC-UHFFFAOYSA-N |
Product Overview
5,12-naphthacenedione, 8-acetyl-10-((3-(9-(aminoacetyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, monohydrochloride, (8S-cis)- (CAS 59708-08-6), with molecular formula C29H33ClN2O11 and molecular weight 620.18 g/mol. IUPAC: N-[6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]-2-aminoacetamide;hydrochloride.
Chemical Property Profile of 5,12-naphthacenedione, 8-acetyl-10-((3-(9-(aminoacetyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, monohydrochloride, (8S-cis)-
Property Insights of 5,12-naphthacenedione, 8-acetyl-10-((3-(9-(aminoacetyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, monohydrochloride, (8S-cis)-
The XLogP value of 0.5669 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,12-naphthacenedione, 8-acetyl-10-((3-(9-(aminoacetyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, monohydrochloride, (8S-cis)-. The TPSA of 215.0 Ų indicates high polarity, suggesting 5,12-naphthacenedione, 8-acetyl-10-((3-(9-(aminoacetyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, monohydrochloride, (8S-cis)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5,12-naphthacenedione, 8-acetyl-10-((3-(9-(aminoacetyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, monohydrochloride, (8S-cis)- has 7 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 5,12-naphthacenedione, 8-acetyl-10-((3-(9-(aminoacetyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, monohydrochloride, (8S-cis)-?
The CAS number of 5,12-naphthacenedione, 8-acetyl-10-((3-(9-(aminoacetyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, monohydrochloride, (8S-cis)- is 59708-08-6.
What is the molecular formula of 5,12-naphthacenedione, 8-acetyl-10-((3-(9-(aminoacetyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, monohydrochloride, (8S-cis)-?
The molecular formula of 5,12-naphthacenedione, 8-acetyl-10-((3-(9-(aminoacetyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, monohydrochloride, (8S-cis)- is C29H33ClN2O11.
What is the molecular weight of 5,12-naphthacenedione, 8-acetyl-10-((3-(9-(aminoacetyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, monohydrochloride, (8S-cis)-?
The molecular weight of 5,12-naphthacenedione, 8-acetyl-10-((3-(9-(aminoacetyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, monohydrochloride, (8S-cis)- is 620.18 g/mol.
Where can I buy 5,12-naphthacenedione, 8-acetyl-10-((3-(9-(aminoacetyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, monohydrochloride, (8S-cis)-?
You can request a quote for 5,12-naphthacenedione, 8-acetyl-10-((3-(9-(aminoacetyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, monohydrochloride, (8S-cis)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,12-naphthacenedione, 8-acetyl-10-((3-(9-(aminoacetyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, monohydrochloride, (8S-cis)-?
Yes, KEHONG BIO provides custom synthesis services for 5,12-naphthacenedione, 8-acetyl-10-((3-(9-(aminoacetyl)amino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, monohydrochloride, (8S-cis)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.