Erythromycin fumarate
TL;DR: Erythromycin fumarate (CAS 144331-28-2) is a chemical compound with molecular formula C41H71NO17 and molecular weight 849.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
Also Known As: Erythromycin fumarate, Oxacyclotetradecane, erythromycin deriv., Erythromycin, (E)-2-butenedioate (1:1) (salt), Erythromycin, (2E)-2-butenedioate (1:1) (salt), (E)-but-2-enedioic acid; (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
| Molecular Formula | C41H71NO17 |
|---|---|
| Molecular Weight | 849.47 g/mol |
| LogP | 1.4974 |
| Topological Polar Surface Area | 268.51 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 9 |
| Exact Mass | 849.4722 |
| Heavy Atoms | 59 |
| Complexity | 1421.921 |
Chemical Identifiers
| CAS Number | 144331-28-2 |
|---|---|
| SMILES | CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
Erythromycin fumarate (CAS 144331-28-2), with molecular formula C41H71NO17 and molecular weight 849.47 g/mol. IUPAC: (E)-but-2-enedioic acid;(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione.
Chemical Property Profile of Erythromycin fumarate
Property Insights of Erythromycin fumarate
The XLogP value of 1.4974 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Erythromycin fumarate. The TPSA of 268.51 Ų indicates high polarity, suggesting Erythromycin fumarate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Erythromycin fumarate has 7 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Erythromycin fumarate?
The CAS number of Erythromycin fumarate is 144331-28-2.
What is the molecular formula of Erythromycin fumarate?
The molecular formula of Erythromycin fumarate is C41H71NO17.
What is the molecular weight of Erythromycin fumarate?
The molecular weight of Erythromycin fumarate is 849.47 g/mol.
Where can I buy Erythromycin fumarate?
You can request a quote for Erythromycin fumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Erythromycin fumarate?
Yes, KEHONG BIO provides custom synthesis services for Erythromycin fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.