硫酸西索米星
TL;DR: 硫酸西索米星 (CAS 53776-71-9) is a chemical compound with molecular formula C38H84N10O34S5 and molecular weight 1384.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫酸西索米星
bis((2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol);sulfuric acid
Also Known As: Sisomicin sulfate, Siseptin, Sisomycin sulfate, Baymicine, Extramycin
| Molecular Formula | C38H84N10O34S5 |
|---|---|
| Molecular Weight | 1384.38 g/mol |
| LogP | -10.967 |
| Topological Polar Surface Area | 842.0 Ų |
| Hydrogen Bond Donors | 26 |
| Hydrogen Bond Acceptors | 44 |
| Rotatable Bonds | 12 |
| Exact Mass | 1384.3755 |
| Heavy Atoms | 87 |
| Complexity | 724.0 |
Chemical Identifiers
| CAS Number | 53776-71-9 |
|---|---|
| SMILES | C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N)N)O.C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N)N)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O |
| InChIKey | CIKNYWFPGZCHDL-ZHFUJENKSA-N |
Product Overview
硫酸西索米星 (CAS 53776-71-9), with molecular formula C38H84N10O34S5 and molecular weight 1384.38 g/mol. IUPAC: bis((2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol);sulfuric acid.
Chemical Property Profile of 硫酸西索米星
Property Insights of 硫酸西索米星
The XLogP value of -10.967 indicates that 硫酸西索米星 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 842.0 Ų indicates high polarity, suggesting 硫酸西索米星 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 硫酸西索米星 has 26 hydrogen bond donor(s) and 44 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 硫酸西索米星?
The CAS number of 硫酸西索米星 is 53776-71-9.
What is the molecular formula of 硫酸西索米星?
The molecular formula of 硫酸西索米星 is C38H84N10O34S5.
What is the molecular weight of 硫酸西索米星?
The molecular weight of 硫酸西索米星 is 1384.38 g/mol.
Where can I buy 硫酸西索米星?
You can request a quote for 硫酸西索米星 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫酸西索米星?
Yes, KEHONG BIO provides custom synthesis services for 硫酸西索米星 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.