硫酸阿贝卡星
TL;DR: 硫酸阿贝卡星 (CAS 104931-87-5) is a chemical compound with molecular formula C22H46N6O14S and molecular weight 650.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫酸阿贝卡星
(2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide;sulfuric acid
Also Known As: arbekacin sulfate, Habekacin, ARBEKACIN SULPHATE, Habekacinxsulfate, Habekacin (TN)
| Molecular Formula | C22H46N6O14S |
|---|---|
| Molecular Weight | 650.28 g/mol |
| LogP | -7.0522 |
| Topological Polar Surface Area | 380.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 10 |
| Exact Mass | 650.2793 |
| Heavy Atoms | 43 |
| Complexity | 839.0 |
Chemical Identifiers
| CAS Number | 104931-87-5 |
|---|---|
| SMILES | C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)NC(=O)[C@H](CCN)O)N)N.OS(=O)(=O)O |
| InChIKey | UTUVRPOLEMRKQC-XDJMXTNXSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫酸阿贝卡星 (CAS 104931-87-5), with molecular formula C22H46N6O14S and molecular weight 650.28 g/mol. IUPAC: (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide;sulfuric acid.
Chemical Property Profile of 硫酸阿贝卡星
Property Insights of 硫酸阿贝卡星
The XLogP value of -7.0522 indicates that 硫酸阿贝卡星 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 380.0 Ų indicates high polarity, suggesting 硫酸阿贝卡星 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 硫酸阿贝卡星 has 13 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 硫酸阿贝卡星?
The CAS number of 硫酸阿贝卡星 is 104931-87-5.
What is the molecular formula of 硫酸阿贝卡星?
The molecular formula of 硫酸阿贝卡星 is C22H46N6O14S.
What is the molecular weight of 硫酸阿贝卡星?
The molecular weight of 硫酸阿贝卡星 is 650.28 g/mol.
Where can I buy 硫酸阿贝卡星?
You can request a quote for 硫酸阿贝卡星 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫酸阿贝卡星?
Yes, KEHONG BIO provides custom synthesis services for 硫酸阿贝卡星 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.