Erythromycin aspartate
TL;DR: Erythromycin aspartate (CAS 30862-24-9) is a chemical compound with molecular formula C41H74N2O17 and molecular weight 866.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-aminobutanedioic 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 aspartate, Erythromycin L-aspartate, KST-1A3659, L-Aspartic acid, compd. with erythromycin (1:1), (2r)-2-aminobutanedioic 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)
| Molecular Formula | C41H74N2O17 |
|---|---|
| Molecular Weight | 866.50 g/mol |
| LogP | 0.66 |
| Topological Polar Surface Area | 295.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 10 |
| Exact Mass | 866.4988 |
| Heavy Atoms | 60 |
| Complexity | 1310.0 |
Chemical Identifiers
| CAS Number | 30862-24-9 |
|---|---|
| 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@H](C(=O)O)N)C(=O)O |
| InChIKey | MVGQXQJJZQSBPZ-FHERSJIQSA-N |
Product Overview
Erythromycin aspartate (CAS 30862-24-9), with molecular formula C41H74N2O17 and molecular weight 866.50 g/mol. IUPAC: (2R)-2-aminobutanedioic 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 aspartate
Property Insights of Erythromycin aspartate
The XLogP value of 0.66 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Erythromycin aspartate. The TPSA of 295.0 Ų indicates high polarity, suggesting Erythromycin aspartate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Erythromycin aspartate has 8 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Erythromycin aspartate?
The CAS number of Erythromycin aspartate is 30862-24-9.
What is the molecular formula of Erythromycin aspartate?
The molecular formula of Erythromycin aspartate is C41H74N2O17.
What is the molecular weight of Erythromycin aspartate?
The molecular weight of Erythromycin aspartate is 866.50 g/mol.
Where can I buy Erythromycin aspartate?
You can request a quote for Erythromycin aspartate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Erythromycin aspartate?
Yes, KEHONG BIO provides custom synthesis services for Erythromycin aspartate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.