Demethylchromomycin A3
TL;DR: Demethylchromomycin A3 (CAS 86917-64-8) is a chemical compound with molecular formula C56H80O26 and molecular weight 1168.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[[6-[4-[4-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-4,10-dihydroxy-3-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-methyloxan-3-yl] acetate
Also Known As: Demethylchromomycin A3, [6-[[6-[4-[4-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-4,10-dihydroxy-3-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-methyloxan-3-yl] acetate, Olivomycin D, 3D-(4-O-acetyl-2,6-dideoxy-3-C-methyl-alpha-L-arabino-hexopyranosyl)-4B-demethyl-7-methyl-
| Molecular Formula | C56H80O26 |
|---|---|
| Molecular Weight | 1168.49 g/mol |
| LogP | 0.89232 |
| Topological Polar Surface Area | 370.34 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 17 |
| Exact Mass | 1168.4938 |
| Heavy Atoms | 82 |
| Complexity | 2599.6057 |
Chemical Identifiers
| CAS Number | 86917-64-8 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(OC(C2OC(=O)C)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)C(C(C)O)O)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)OC(=O)C)(C)O)C(=C4C(=C3C)O)O)O)O |
Product Overview
Demethylchromomycin A3 (CAS 86917-64-8), with molecular formula C56H80O26 and molecular weight 1168.49 g/mol. IUPAC: [6-[[6-[4-[4-(5-acetyloxy-4-hydroxy-4,6-dimethyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-7-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-4,10-dihydroxy-3-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-methyloxan-3-yl] acetate.
Chemical Property Profile of Demethylchromomycin A3
Property Insights of Demethylchromomycin A3
The XLogP value of 0.89232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Demethylchromomycin A3. The TPSA of 370.34 Ų indicates high polarity, suggesting Demethylchromomycin A3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Demethylchromomycin A3 has 9 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Demethylchromomycin A3?
The CAS number of Demethylchromomycin A3 is 86917-64-8.
What is the molecular formula of Demethylchromomycin A3?
The molecular formula of Demethylchromomycin A3 is C56H80O26.
What is the molecular weight of Demethylchromomycin A3?
The molecular weight of Demethylchromomycin A3 is 1168.49 g/mol.
Where can I buy Demethylchromomycin A3?
You can request a quote for Demethylchromomycin A3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demethylchromomycin A3?
Yes, KEHONG BIO provides custom synthesis services for Demethylchromomycin A3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.