Elsamicin B
TL;DR: Elsamicin B (CAS 97068-31-0) is a chemical compound with molecular formula C26H22O10 and molecular weight 494.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-hydroxy-15-methyl-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-4,6-dimethyloxan-2-yl]oxy-11,18-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,17-dione
Also Known As: Elsamicin B, 8-hydroxy-15-methyl-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-4,6-dimethyloxan-2-yl]oxy-11,18-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,17-dione, 10-[(3-C-Methyl-6-deoxy-beta-D-galactopyranosyl)oxy]-6-hydroxy-1-methylbenzo[h][1]benzopyrano[5,4,3-cde][1]benzopyran-5,12-dione, 6-Hydroxy-1-methyl-5,12-dioxo-5,12-dihydrobenzo[g][2]benzopyrano[5,4,3-cde][2]benzopyran-10-yl 6-deoxy-3-C-methyl-D-galactopyranoside, 6-Hydroxy-1-methyl-5,12-dioxo-5,12-dihydrobenzo[g][2]benzopyrano[5,4,3-cde][2]benzopyran-10-yl 6-deoxy-3-C-methylhexopyranoside
| Molecular Formula | C26H22O10 |
|---|---|
| Molecular Weight | 494.12 g/mol |
| LogP | 2.25402 |
| Topological Polar Surface Area | 159.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 494.1213 |
| Heavy Atoms | 36 |
| Complexity | 1797.0789 |
Chemical Identifiers
| CAS Number | 97068-31-0 |
|---|---|
| SMILES | C[C@@H]1[C@@H]([C@]([C@H](C(O1)OC2=CC=CC3=C2C4=C5C6=C(C=CC(=C6C(=O)O4)C)OC(=O)C5=C3O)O)(C)O)O |
Product Overview
Elsamicin B (CAS 97068-31-0), with molecular formula C26H22O10 and molecular weight 494.12 g/mol. IUPAC: 8-hydroxy-15-methyl-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-4,6-dimethyloxan-2-yl]oxy-11,18-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,17-dione.
Chemical Property Profile of Elsamicin B
Property Insights of Elsamicin B
The XLogP value of 2.25402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Elsamicin B. The TPSA of 159.8 Ų indicates high polarity, suggesting Elsamicin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Elsamicin B has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Elsamicin B?
The CAS number of Elsamicin B is 97068-31-0.
What is the molecular formula of Elsamicin B?
The molecular formula of Elsamicin B is C26H22O10.
What is the molecular weight of Elsamicin B?
The molecular weight of Elsamicin B is 494.12 g/mol.
Where can I buy Elsamicin B?
You can request a quote for Elsamicin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Elsamicin B?
Yes, KEHONG BIO provides custom synthesis services for Elsamicin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.