2''-N-Formimidoylistamycin B disulfate tetrahydrate
TL;DR: 2''-N-Formimidoylistamycin B disulfate tetrahydrate (CAS 81202-84-8) is a chemical compound with molecular formula C18H40N6O13S2 and molecular weight 612.21 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-hydroxy-6-methoxycyclohexyl]-2-(aminomethylideneamino)-N-methylacetamide;sulfuric acid
Also Known As: 2''-N-Formimidoylistamycin A disulfate trihydrate, 2''-N-Formimidoylistamycin B disulfate tetrahydrate, 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)-4-O-methyl-, sulfate, hydrate (1:2:4), L-chiro-Inositol, 4-amino-3-O-(2-amino-2,3,4,6-tetradeoxy-6-(methylamino)-alpha-D-erythro-hexopyranosyl)-1,4,5-trideoxy-1-((((iminomethyl)amino)acetyl)methylamino)-6-O-methyl-, sulfate (1:2), L-chiro-Inositol, 4-amino-3-O-(2-amino-2,3,4,6-tetradeoxy-6-(methylamino)-alpha-D-erythro-hexopyranosyl)-1,4,5-trideoxy-1-((((iminomethyl)amino)acetyl)methylamino)-6-O-methyl-, sulfate, hydrate (1:2:3)
| Molecular Formula | C18H40N6O13S2 |
|---|---|
| Molecular Weight | 612.21 g/mol |
| LogP | -3.9613 |
| Topological Polar Surface Area | 319.88 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 612.2095 |
| Heavy Atoms | 39 |
| Complexity | 924.5417 |
Chemical Identifiers
| CAS Number | 81202-84-8 |
|---|---|
| SMILES | CNCC1CCC(C(O1)OC2C(CC(C(C2O)N(C)C(=O)CN=CN)OC)N)N.OS(=O)(=O)O.OS(=O)(=O)O |
Product Overview
2''-N-Formimidoylistamycin B disulfate tetrahydrate (CAS 81202-84-8), with molecular formula C18H40N6O13S2 and molecular weight 612.21 g/mol. IUPAC: N-[4-amino-3-[3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2-hydroxy-6-methoxycyclohexyl]-2-(aminomethylideneamino)-N-methylacetamide;sulfuric acid.
Chemical Property Profile of 2''-N-Formimidoylistamycin B disulfate tetrahydrate
Property Insights of 2''-N-Formimidoylistamycin B disulfate tetrahydrate
The XLogP value of -3.9613 indicates that 2''-N-Formimidoylistamycin B disulfate tetrahydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 319.88 Ų indicates high polarity, suggesting 2''-N-Formimidoylistamycin B disulfate tetrahydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2''-N-Formimidoylistamycin B disulfate tetrahydrate has 9 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 2''-N-Formimidoylistamycin B disulfate tetrahydrate?
The CAS number of 2''-N-Formimidoylistamycin B disulfate tetrahydrate is 81202-84-8.
What is the molecular formula of 2''-N-Formimidoylistamycin B disulfate tetrahydrate?
The molecular formula of 2''-N-Formimidoylistamycin B disulfate tetrahydrate is C18H40N6O13S2.
What is the molecular weight of 2''-N-Formimidoylistamycin B disulfate tetrahydrate?
The molecular weight of 2''-N-Formimidoylistamycin B disulfate tetrahydrate is 612.21 g/mol.
Where can I buy 2''-N-Formimidoylistamycin B disulfate tetrahydrate?
You can request a quote for 2''-N-Formimidoylistamycin B disulfate tetrahydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2''-N-Formimidoylistamycin B disulfate tetrahydrate?
Yes, KEHONG BIO provides custom synthesis services for 2''-N-Formimidoylistamycin B disulfate tetrahydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.