红霉素A环状碳酸酯L-天冬氨酸盐
TL;DR: 红霉素A环状碳酸酯L-天冬氨酸盐 (CAS 55171-82-9) is a chemical compound with molecular formula C42H72N2O18 and molecular weight 892.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
红霉素A环状碳酸酯L-天冬氨酸盐
(2R)-2-aminobutanedioic acid;(1R,2R,5R,6S,7S,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,5,7,9,11,13-hexamethyl-3,15,17-trioxabicyclo[12.3.0]heptadecane-4,12,16-trione
Also Known As: Erythromycin A cyclic carbonate L-aspartate, Cid 83971, KST-1A6109, Erythromycin A 11,12-carbonate L-aspartate, L-Aspartic acid, compd. with erythromycin cyclic 11,12-carbonate (1:1)
| Molecular Formula | C42H72N2O18 |
|---|---|
| Molecular Weight | 892.48 g/mol |
| LogP | 1.84 |
| Topological Polar Surface Area | 290.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 10 |
| Exact Mass | 892.478 |
| Heavy Atoms | 62 |
| Complexity | 1430.0 |
Chemical Identifiers
| CAS Number | 55171-82-9 |
|---|---|
| SMILES | CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@](C([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)C)OC(=O)O2)C.C([C@H](C(=O)O)N)C(=O)O |
| InChIKey | ULTGIAYPXSUURB-GWDFWZKWSA-N |
Product Overview
红霉素A环状碳酸酯L-天冬氨酸盐 (CAS 55171-82-9), with molecular formula C42H72N2O18 and molecular weight 892.48 g/mol. IUPAC: (2R)-2-aminobutanedioic acid;(1R,2R,5R,6S,7S,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,5,7,9,11,13-hexamethyl-3,15,17-trioxabicyclo[12.3.0]heptadecane-4,12,16-trione.
Chemical Property Profile of 红霉素A环状碳酸酯L-天冬氨酸盐
Property Insights of 红霉素A环状碳酸酯L-天冬氨酸盐
The XLogP value of 1.84 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 红霉素A环状碳酸酯L-天冬氨酸盐. The TPSA of 290.0 Ų indicates high polarity, suggesting 红霉素A环状碳酸酯L-天冬氨酸盐 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 红霉素A环状碳酸酯L-天冬氨酸盐 has 6 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 红霉素A环状碳酸酯L-天冬氨酸盐?
The CAS number of 红霉素A环状碳酸酯L-天冬氨酸盐 is 55171-82-9.
What is the molecular formula of 红霉素A环状碳酸酯L-天冬氨酸盐?
The molecular formula of 红霉素A环状碳酸酯L-天冬氨酸盐 is C42H72N2O18.
What is the molecular weight of 红霉素A环状碳酸酯L-天冬氨酸盐?
The molecular weight of 红霉素A环状碳酸酯L-天冬氨酸盐 is 892.48 g/mol.
Where can I buy 红霉素A环状碳酸酯L-天冬氨酸盐?
You can request a quote for 红霉素A环状碳酸酯L-天冬氨酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 红霉素A环状碳酸酯L-天冬氨酸盐?
Yes, KEHONG BIO provides custom synthesis services for 红霉素A环状碳酸酯L-天冬氨酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.