Istamycin A3 disulfate trihydrate
TL;DR: Istamycin A3 disulfate trihydrate (CAS 77312-58-4) is a chemical compound with molecular formula C17H38N6O13S2 and molecular weight 598.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-amino-3-[3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2,6-dihydroxycyclohexyl]-2-(aminomethylideneamino)-N-methylacetamide;sulfuric acid
Also Known As: Istamycin A3 disulfate trihydrate, D-allo-Inositol, 2-amino-1-O-(2-amino-2,3,4,6-tetradeoxy-6-(methylamino)-alpha-D-erythro-hexopyranosyl)-2,3,5-trideoxy-5-((((iminomethyl)amino)acetyl)methylamino)-, sulfate (1:2), D-allo-Inositol, 2-amino-1-O-(2-amino-2,3,4,6-tetradeoxy-6-(methylamino)-alpha-D-erythro-hexopyranosyl)-2,3,5-trideoxy-5-((((iminomethyl)amino)acetyl)methylamino)-, sulfate, hydrate (1:2:3), N-[4-amino-3-[3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2,6-dihydroxycyclohexyl]-2-(aminomethylideneamino)-N-methylacetamide,sulfuric acid, N-[4-amino-3-[3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2,6-dihydroxycyclohexyl]-2-(aminomethylideneamino)-N-methylacetamide; sulfuric acid
| Molecular Formula | C17H38N6O13S2 |
|---|---|
| Molecular Weight | 598.19 g/mol |
| LogP | -4.6154 |
| Topological Polar Surface Area | 330.88 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 598.19385 |
| Heavy Atoms | 38 |
| Complexity | 908.00385 |
Chemical Identifiers
| CAS Number | 77312-58-4 |
|---|---|
| SMILES | CNCC1CCC(C(O1)OC2C(CC(C(C2O)N(C)C(=O)CN=CN)O)N)N.OS(=O)(=O)O.OS(=O)(=O)O |
Product Overview
Istamycin A3 disulfate trihydrate (CAS 77312-58-4), with molecular formula C17H38N6O13S2 and molecular weight 598.19 g/mol. IUPAC: N-[4-amino-3-[3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2,6-dihydroxycyclohexyl]-2-(aminomethylideneamino)-N-methylacetamide;sulfuric acid.
Chemical Property Profile of Istamycin A3 disulfate trihydrate
Property Insights of Istamycin A3 disulfate trihydrate
The XLogP value of -4.6154 indicates that Istamycin A3 disulfate trihydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 330.88 Ų indicates high polarity, suggesting Istamycin A3 disulfate trihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Istamycin A3 disulfate trihydrate has 10 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Istamycin A3 disulfate trihydrate?
The CAS number of Istamycin A3 disulfate trihydrate is 77312-58-4.
What is the molecular formula of Istamycin A3 disulfate trihydrate?
The molecular formula of Istamycin A3 disulfate trihydrate is C17H38N6O13S2.
What is the molecular weight of Istamycin A3 disulfate trihydrate?
The molecular weight of Istamycin A3 disulfate trihydrate is 598.19 g/mol.
Where can I buy Istamycin A3 disulfate trihydrate?
You can request a quote for Istamycin A3 disulfate trihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Istamycin A3 disulfate trihydrate?
Yes, KEHONG BIO provides custom synthesis services for Istamycin A3 disulfate trihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.