Erythromycin, carbonate (ester)
TL;DR: Erythromycin, carbonate (ester) (CAS 54579-17-8) is a chemical compound with molecular formula C38H69NO16 and molecular weight 795.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
carbonic 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 Carbonate, Erythromycin, carbonate (ester), ErythromycinCarbonate, carbonic acid-(3r,4s,5s,6r,7r,9r,11r,12r,13s,14r)-6-{[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2h-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione(1:1)(non-preferred name), carbonic 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 | C38H69NO16 |
|---|---|
| Molecular Weight | 795.46 g/mol |
| LogP | 2.01 |
| Topological Polar Surface Area | 251.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 7 |
| Exact Mass | 795.4616 |
| Heavy Atoms | 55 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 54579-17-8 |
|---|---|
| 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(=O)(O)O |
| InChIKey | ZWCGOSCDWAAFKK-YZPBMOCRSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Erythromycin, carbonate (ester) (CAS 54579-17-8), with molecular formula C38H69NO16 and molecular weight 795.46 g/mol. IUPAC: carbonic 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, carbonate (ester)
Property Insights of Erythromycin, carbonate (ester)
The XLogP value of 2.01 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Erythromycin, carbonate (ester). The TPSA of 251.0 Ų indicates high polarity, suggesting Erythromycin, carbonate (ester) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Erythromycin, carbonate (ester) has 7 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Erythromycin, carbonate (ester)?
The CAS number of Erythromycin, carbonate (ester) is 54579-17-8.
What is the molecular formula of Erythromycin, carbonate (ester)?
The molecular formula of Erythromycin, carbonate (ester) is C38H69NO16.
What is the molecular weight of Erythromycin, carbonate (ester)?
The molecular weight of Erythromycin, carbonate (ester) is 795.46 g/mol.
Where can I buy Erythromycin, carbonate (ester)?
You can request a quote for Erythromycin, carbonate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Erythromycin, carbonate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Erythromycin, carbonate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.