Axenomycin B
TL;DR: Axenomycin B (CAS 41975-84-2) is a chemical compound with molecular formula C78H128O31 and molecular weight 1560.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-(4,6-dihydroxy-2,4-dimethyloxan-3-yl)oxy-2-methyloxan-3-yl] 3-hydroxy-2-methyl-3-(6-methyl-5,8-dioxonaphthalen-2-yl)propanoate;3,5,7,9,13,14,19,21,23,27,31,32-dodecahydroxy-20,30-dimethyl-15-(3,5,7,9-tetrahydroxy-4,6,8-trimethylundecan-2-yl)-16,34-dioxabicyclo[30.2.2]hexatriacontane-17,33,36-trione
Also Known As: AXENOMYCIN B, Antibiotic FJ 2604 B, [6-(4,6-dihydroxy-2,4-dimethyloxan-3-yl)oxy-2-methyloxan-3-yl] 3-hydroxy-2-methyl-3-(6-methyl-5,8-dioxonaphthalen-2-yl)propanoate;3,5,7,9,13,14,19,21,23,27,31,32-dodecahydroxy-20,30-dimethyl-15-(3,5,7,9-tetrahydroxy-4,6,8-trimethylundecan-2-yl)-16,34-dioxabicyclo[30.2.2]hexatriacontane-17,33,36-trione, [6-(4,6-dihydroxy-2,4-dimethyl-tetrahydropyran-3-yl)oxy-2-methyl-tetrahydropyran-3-yl] 3-hydroxy-2-methyl-3-(6-methyl-5,8-dioxo-2-naphthyl)propanoate; 3,5,7,9,13,14,19,21,23,27,31,32-dodecahydroxy-20,30-dimethyl-15-(2,4,6,8-tetrahydroxy-1,3,5,7-tetramethyl-decyl)-16,34-dioxabicyclo[30.2.2]hexatriacontane-17,33,36-trione, [6-(4,6-dihydroxy-2,4-dimethyloxan-3-yl)oxy-2-methyloxan-3-yl] 3-hydroxy-2-methyl-3-(6-methyl-5,8-dioxonaphthalen-2-yl)propanoate; 3,5,7,9,13,14,19,21,23,27,31,32-dodecahydroxy-20,30-dimethyl-15-(3,5,7,9-tetrahydroxy-4,6,8-trimethylundecan-2-yl)-16,34-dioxabicyclo[30.2.2]hexatriacontane-17,33,36-trione
| Molecular Formula | C78H128O31 |
|---|---|
| Molecular Weight | 1560.84 g/mol |
| LogP | 1.0106 |
| Topological Polar Surface Area | 542.0 Ų |
| Hydrogen Bond Donors | 19 |
| Hydrogen Bond Acceptors | 31 |
| Rotatable Bonds | 16 |
| Exact Mass | 1560.844 |
| Heavy Atoms | 109 |
| Complexity | 2510.0 |
Chemical Identifiers
| CAS Number | 41975-84-2 |
|---|---|
| SMILES | CCC(C(C)C(C(C)C(C(C)C(C(C)C1C(C(CCCC(CC(CC(CC(CC2CC(=O)C(C(C(CCC(CCCC(CC(C(C(CC(=O)O1)O)C)O)O)O)C)O)(C(=O)O2)O)O)O)O)O)O)O)O)O)O)O.CC1C(CCC(O1)OC2C(OC(CC2(C)O)O)C)OC(=O)C(C)C(C3=CC4=C(C=C3)C(=O)C(=CC4=O)C)O |
| InChIKey | JFHASUPBUKOUIB-UHFFFAOYSA-N |
Product Overview
Axenomycin B (CAS 41975-84-2), with molecular formula C78H128O31 and molecular weight 1560.84 g/mol. IUPAC: [6-(4,6-dihydroxy-2,4-dimethyloxan-3-yl)oxy-2-methyloxan-3-yl] 3-hydroxy-2-methyl-3-(6-methyl-5,8-dioxonaphthalen-2-yl)propanoate;3,5,7,9,13,14,19,21,23,27,31,32-dodecahydroxy-20,30-dimethyl-15-(3,5,7,9-tetrahydroxy-4,6,8-trimethylundecan-2-yl)-16,34-dioxabicyclo[30.2.2]hexatriacontane-17,33,36-trione.
Chemical Property Profile of Axenomycin B
Property Insights of Axenomycin B
The XLogP value of 1.0106 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Axenomycin B. The TPSA of 542.0 Ų indicates high polarity, suggesting Axenomycin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Axenomycin B has 19 hydrogen bond donor(s) and 31 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Axenomycin B?
The CAS number of Axenomycin B is 41975-84-2.
What is the molecular formula of Axenomycin B?
The molecular formula of Axenomycin B is C78H128O31.
What is the molecular weight of Axenomycin B?
The molecular weight of Axenomycin B is 1560.84 g/mol.
Where can I buy Axenomycin B?
You can request a quote for Axenomycin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Axenomycin B?
Yes, KEHONG BIO provides custom synthesis services for Axenomycin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.