Everninomicin B sodium salt
TL;DR: Everninomicin B sodium salt (CAS 109545-84-8) is a chemical compound with molecular formula C66H98Cl2NNaO36 and molecular weight 1573.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 2,6-dichloro-4-[6-[4',7-dihydroxy-6-[3-hydroxy-2-[4-hydroxy-6-[7'-hydroxy-7-methoxy-7'-(1-methoxyethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-5-methoxy-6-methyloxan-4-yl]oxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-4-(5-methoxy-4,6-dimethyl-4-nitrooxan-2-yl)oxy-2-methyloxan-3-yl]oxycarbonyl-3-methoxy-5-methylphenolate
Also Known As: EVERNINOMICIN B SODIUM SALT, sodium 2,6-dichloro-4-[6-[4',7-dihydroxy-6-[3-hydroxy-2-[4-hydroxy-6-[7'-hydroxy-7-methoxy-7'-(1-methoxyethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-5-methoxy-6-methyloxan-4-yl]oxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-4-(5-methoxy-4,6-dimethyl-4-nitrooxan-2-yl)oxy-2-methyloxan-3-yl]oxycarbonyl-3-methoxy-5-methylphenolate
| Molecular Formula | C66H98Cl2NNaO36 |
|---|---|
| Molecular Weight | 1573.51 g/mol |
| LogP | -2.89098 |
| Topological Polar Surface Area | 433.63 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 36 |
| Rotatable Bonds | 22 |
| Exact Mass | 1573.5143 |
| Heavy Atoms | 106 |
| Complexity | 3186.5457 |
Chemical Identifiers
| CAS Number | 109545-84-8 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2C(OC3(CC2O)OC4C(OC(C(C4(O3)C)O)OC5C(C(OC(C5OC)C)OC6C(OC(C(C6O)OC)OC7C(C8C(CO7)OC9(O8)C1C(C(CO9)(C(C)OC)O)OCO1)OC)COC)O)C)C)OC1CC(C(C(O1)C)OC)(C)[N+](=O)[O-])OC(=O)C1=C(C(=C(C(=C1OC)Cl)[O-])Cl)C.[Na+] |
Product Overview
Everninomicin B sodium salt (CAS 109545-84-8), with molecular formula C66H98Cl2NNaO36 and molecular weight 1573.51 g/mol. IUPAC: sodium 2,6-dichloro-4-[6-[4',7-dihydroxy-6-[3-hydroxy-2-[4-hydroxy-6-[7'-hydroxy-7-methoxy-7'-(1-methoxyethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl]oxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-5-methoxy-6-methyloxan-4-yl]oxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-4-(5-methoxy-4,6-dimethyl-4-nitrooxan-2-yl)oxy-2-methyloxan-3-yl]oxycarbonyl-3-methoxy-5-methylphenolate.
Chemical Property Profile of Everninomicin B sodium salt
Property Insights of Everninomicin B sodium salt
The XLogP value of -2.89098 indicates that Everninomicin B sodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 433.63 Ų indicates high polarity, suggesting Everninomicin B sodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Everninomicin B sodium salt has 5 hydrogen bond donor(s) and 36 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Everninomicin B sodium salt?
The CAS number of Everninomicin B sodium salt is 109545-84-8.
What is the molecular formula of Everninomicin B sodium salt?
The molecular formula of Everninomicin B sodium salt is C66H98Cl2NNaO36.
What is the molecular weight of Everninomicin B sodium salt?
The molecular weight of Everninomicin B sodium salt is 1573.51 g/mol.
Where can I buy Everninomicin B sodium salt?
You can request a quote for Everninomicin B sodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Everninomicin B sodium salt?
Yes, KEHONG BIO provides custom synthesis services for Everninomicin B sodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.