barminomycin II
TL;DR: barminomycin II (CAS 108089-33-4) is a chemical compound with molecular formula C33H39NO13 and molecular weight 657.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-acetyl-4,6,9,11-tetrahydroxy-7-[[5-hydroxy-2-(2-hydroxypropyl)-4,10-dimethyl-4,5,6,6a,7,8,10,10a-octahydropyrano[3,4-d][1,3,6]dioxazocin-8-yl]oxy]-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Barminomycin II, 8-Acetyl-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-10-((octahydro-5-hydroxy-2-(2-hydroxypropyl)-4,10-dimethylpyrano(3,4-d)-1,3,6-dioxazocin-8-yl)oxy)-5,12-naphthacenedione, 9-acetyl-4,6,9,11-tetrahydroxy-7-[[5-hydroxy-2-(2-hydroxypropyl)-4,10-dimethyl-4,5,6,6a,7,8,10,10a-octahydropyrano[3,4-d][1,3,6]dioxazocin-8-yl]oxy]-8,10-dihydro-7H-tetracene-5,12-dione, 5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-10-((octahydro-5-hydroxy-2-(2-hydroxypropyl)-4,10-dimethylpyrano(3,4-d)-1,3,6-dioxazocin-8-yl)oxy)-, 8-Acetyl-1,6,8,11-tetrahydroxy-10-{[5-hydroxy-2-(2-hydroxypropyl)-4,10-dimethyloctahydro-2H-pyrano[3,4-d][1,3,6]dioxazocin-8-yl]oxy}-7,8,9,10-tetrahydrotetracene-5,12-dione
| Molecular Formula | C33H39NO13 |
|---|---|
| Molecular Weight | 657.24 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 222.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 5 |
| Exact Mass | 657.2421 |
| Heavy Atoms | 47 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 108089-33-4 |
|---|---|
| SMILES | CC1C2C(CC(O1)OC3CC(CC4=C3C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=CC=C6)O)O)(C(=O)C)O)NC(C(OC(O2)CC(C)O)C)O |
| InChIKey | AEGZAZQDUFJYDZ-UHFFFAOYSA-N |
Product Overview
barminomycin II (CAS 108089-33-4), with molecular formula C33H39NO13 and molecular weight 657.24 g/mol. IUPAC: 9-acetyl-4,6,9,11-tetrahydroxy-7-[[5-hydroxy-2-(2-hydroxypropyl)-4,10-dimethyl-4,5,6,6a,7,8,10,10a-octahydropyrano[3,4-d][1,3,6]dioxazocin-8-yl]oxy]-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of barminomycin II
Property Insights of barminomycin II
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for barminomycin II. The TPSA of 222.0 Ų indicates high polarity, suggesting barminomycin II may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, barminomycin II has 7 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 barminomycin II?
The CAS number of barminomycin II is 108089-33-4.
What is the molecular formula of barminomycin II?
The molecular formula of barminomycin II is C33H39NO13.
What is the molecular weight of barminomycin II?
The molecular weight of barminomycin II is 657.24 g/mol.
Where can I buy barminomycin II?
You can request a quote for barminomycin II directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for barminomycin II?
Yes, KEHONG BIO provides custom synthesis services for barminomycin II and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.