2-Hydroxyaclacinomycin M
TL;DR: 2-Hydroxyaclacinomycin M (CAS 80876-81-9) is a chemical compound with molecular formula C42H55NO16 and molecular weight 829.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-(dimethylamino)-5-[4-hydroxy-5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,9-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Also Known As: 2-Hydroxyaclacinomycin N, 2-Hydroxyaclacinomycin M, bis(N-methyl-1H-pyrrol-2-yl)methanone, 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-ethyl-2,5,7,9-tetrahydroxy-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2S-(2-alpha,5-alpha,6-beta))-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-, 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-ethyl-2,5,7,9-tetrahydroxy-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2S-(2-alpha,5-beta,6-beta))-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-
| Molecular Formula | C42H55NO16 |
|---|---|
| Molecular Weight | 829.35 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 240.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 10 |
| Exact Mass | 829.3521 |
| Heavy Atoms | 59 |
| Complexity | 1520.0 |
Chemical Identifiers
| CAS Number | 80876-81-9 |
|---|---|
| SMILES | CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C3=O)C(=CC(=C4)O)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(C(O7)C)O)O)N(C)C)O |
| InChIKey | YIQXQIBKRXRACQ-UHFFFAOYSA-N |
Product Overview
2-Hydroxyaclacinomycin M (CAS 80876-81-9), with molecular formula C42H55NO16 and molecular weight 829.35 g/mol. IUPAC: methyl 4-[4-(dimethylamino)-5-[4-hydroxy-5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,9-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate.
Chemical Property Profile of 2-Hydroxyaclacinomycin M
Property Insights of 2-Hydroxyaclacinomycin M
The XLogP value of 3.4 indicates that 2-Hydroxyaclacinomycin M is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 240.0 Ų indicates high polarity, suggesting 2-Hydroxyaclacinomycin M may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Hydroxyaclacinomycin M has 6 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Hydroxyaclacinomycin M?
The CAS number of 2-Hydroxyaclacinomycin M is 80876-81-9.
What is the molecular formula of 2-Hydroxyaclacinomycin M?
The molecular formula of 2-Hydroxyaclacinomycin M is C42H55NO16.
What is the molecular weight of 2-Hydroxyaclacinomycin M?
The molecular weight of 2-Hydroxyaclacinomycin M is 829.35 g/mol.
Where can I buy 2-Hydroxyaclacinomycin M?
You can request a quote for 2-Hydroxyaclacinomycin M directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxyaclacinomycin M?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxyaclacinomycin M and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.