Erythromycin, 4-O-alpha-D-glucopyranosyl-D-gluconate (salt)
TL;DR: Erythromycin, 4-O-alpha-D-glucopyranosyl-D-gluconate (salt) (CAS 69779-46-0) is a chemical compound with molecular formula C49H89NO25 and molecular weight 1091.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid
Also Known As: Erythrocin, Erythromycin, 4-O-alpha-D-glucopyranosyl-D-gluconate (salt), (3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2S,4R,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione; (2R,3, (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,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione; (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid
| Molecular Formula | C49H89NO25 |
|---|---|
| Molecular Weight | 1091.57 g/mol |
| LogP | -3.8833 |
| Topological Polar Surface Area | 412.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 15 |
| Exact Mass | 1091.5724 |
| Heavy Atoms | 75 |
| Complexity | 1580.0 |
Chemical Identifiers
| CAS Number | 69779-46-0 |
|---|---|
| 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([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]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)O)O)O)O)O)O)O |
| InChIKey | NNRXCKZMQLFUPL-HOODTPICSA-N |
Product Overview
Erythromycin, 4-O-alpha-D-glucopyranosyl-D-gluconate (salt) (CAS 69779-46-0), with molecular formula C49H89NO25 and molecular weight 1091.57 g/mol. IUPAC: (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,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid.
Chemical Property Profile of Erythromycin, 4-O-alpha-D-glucopyranosyl-D-gluconate (salt)
Property Insights of Erythromycin, 4-O-alpha-D-glucopyranosyl-D-gluconate (salt)
The XLogP value of -3.8833 indicates that Erythromycin, 4-O-alpha-D-glucopyranosyl-D-gluconate (salt) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 412.0 Ų indicates high polarity, suggesting Erythromycin, 4-O-alpha-D-glucopyranosyl-D-gluconate (salt) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Erythromycin, 4-O-alpha-D-glucopyranosyl-D-gluconate (salt) has 14 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Erythromycin, 4-O-alpha-D-glucopyranosyl-D-gluconate (salt)?
The CAS number of Erythromycin, 4-O-alpha-D-glucopyranosyl-D-gluconate (salt) is 69779-46-0.
What is the molecular formula of Erythromycin, 4-O-alpha-D-glucopyranosyl-D-gluconate (salt)?
The molecular formula of Erythromycin, 4-O-alpha-D-glucopyranosyl-D-gluconate (salt) is C49H89NO25.
What is the molecular weight of Erythromycin, 4-O-alpha-D-glucopyranosyl-D-gluconate (salt)?
The molecular weight of Erythromycin, 4-O-alpha-D-glucopyranosyl-D-gluconate (salt) is 1091.57 g/mol.
Where can I buy Erythromycin, 4-O-alpha-D-glucopyranosyl-D-gluconate (salt)?
You can request a quote for Erythromycin, 4-O-alpha-D-glucopyranosyl-D-gluconate (salt) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Erythromycin, 4-O-alpha-D-glucopyranosyl-D-gluconate (salt)?
Yes, KEHONG BIO provides custom synthesis services for Erythromycin, 4-O-alpha-D-glucopyranosyl-D-gluconate (salt) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.