3-O-Demethylistamycin B sesquicarbonate
TL;DR: 3-O-Demethylistamycin B sesquicarbonate (CAS 77398-04-0) is a chemical compound with molecular formula C35H72N10O19 and molecular weight 936.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-amino-N-[4-amino-3-[3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2,6-dihydroxycyclohexyl]-N-methylacetamide);carbonic acid
Also Known As: 3-O-Demethylistamycin B sesquicarbonate, D-allo-Inositol, 2-amino-5-((aminoacetyl)methylamino)-1-O-(2-amino-2,3,4,6-tetradeoxy-6-(methylamino)-alpha-D-erythro-hexopyranosyl)-2,3,5-trideoxy-, carbonate (2:3) (salt), 2-amino-N-[4-amino-3-[3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2,6-dihydroxycyclohexyl]-N-methylacetamide; carbonic acid, Carbonic acid--6-amino-3-[glycyl(methyl)amino]-2,4-dihydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-(methylamino)hexopyranoside (3/2), RefChem:281405
| Molecular Formula | C35H72N10O19 |
|---|---|
| Molecular Weight | 936.50 g/mol |
| LogP | -6.009 |
| Topological Polar Surface Area | 511.23 Ų |
| Hydrogen Bond Donors | 18 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 12 |
| Exact Mass | 936.4975 |
| Heavy Atoms | 64 |
| Complexity | 1276.7871 |
Chemical Identifiers
| CAS Number | 77398-04-0 |
|---|---|
| SMILES | CNCC1CCC(C(O1)OC2C(CC(C(C2O)N(C)C(=O)CN)O)N)N.CNCC1CCC(C(O1)OC2C(CC(C(C2O)N(C)C(=O)CN)O)N)N.C(=O)(O)O.C(=O)(O)O.C(=O)(O)O |
Product Overview
3-O-Demethylistamycin B sesquicarbonate (CAS 77398-04-0), with molecular formula C35H72N10O19 and molecular weight 936.50 g/mol. IUPAC: bis(2-amino-N-[4-amino-3-[3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2,6-dihydroxycyclohexyl]-N-methylacetamide);carbonic acid.
Chemical Property Profile of 3-O-Demethylistamycin B sesquicarbonate
Property Insights of 3-O-Demethylistamycin B sesquicarbonate
The XLogP value of -6.009 indicates that 3-O-Demethylistamycin B sesquicarbonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 511.23 Ų indicates high polarity, suggesting 3-O-Demethylistamycin B sesquicarbonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-O-Demethylistamycin B sesquicarbonate has 18 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-O-Demethylistamycin B sesquicarbonate?
The CAS number of 3-O-Demethylistamycin B sesquicarbonate is 77398-04-0.
What is the molecular formula of 3-O-Demethylistamycin B sesquicarbonate?
The molecular formula of 3-O-Demethylistamycin B sesquicarbonate is C35H72N10O19.
What is the molecular weight of 3-O-Demethylistamycin B sesquicarbonate?
The molecular weight of 3-O-Demethylistamycin B sesquicarbonate is 936.50 g/mol.
Where can I buy 3-O-Demethylistamycin B sesquicarbonate?
You can request a quote for 3-O-Demethylistamycin B sesquicarbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-O-Demethylistamycin B sesquicarbonate?
Yes, KEHONG BIO provides custom synthesis services for 3-O-Demethylistamycin B sesquicarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.