Nikkomycin So(X)
TL;DR: Nikkomycin So(X) (CAS 140447-98-9) is a chemical compound with molecular formula C12H14N2O9 and molecular weight 330.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,3aS,5S,6S,7R,7aR)-2-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,6,7-trihydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid
Also Known As: Nikkomycin So(X), Nikkomycin sox, Nikkomycin So-X, (2R,3R,3aS,5S,6S,7R,7aR)-2-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,6,7-trihydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid, 1-(3,7-Anhydrooctofuranuronosyl)-2-hydroxy-1H-imidazole-4-carbaldehyde
| Molecular Formula | C12H14N2O9 |
|---|---|
| Molecular Weight | 330.07 g/mol |
| LogP | -3.1 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.06992 |
| Heavy Atoms | 23 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 140447-98-9 |
|---|---|
| SMILES | C1=C(NC(=O)N1[C@H]2[C@@H]([C@H]3[C@H](O2)[C@@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C=O |
| InChIKey | MCEHHDMQJDREQZ-ZVMZQBCWSA-N |
Product Overview
Nikkomycin So(X) (CAS 140447-98-9), with molecular formula C12H14N2O9 and molecular weight 330.07 g/mol. IUPAC: (2R,3R,3aS,5S,6S,7R,7aR)-2-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,6,7-trihydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid.
Chemical Property Profile of Nikkomycin So(X)
Property Insights of Nikkomycin So(X)
The XLogP value of -3.1 indicates that Nikkomycin So(X) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 166.0 Ų indicates high polarity, suggesting Nikkomycin So(X) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nikkomycin So(X) has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nikkomycin So(X)?
The CAS number of Nikkomycin So(X) is 140447-98-9.
What is the molecular formula of Nikkomycin So(X)?
The molecular formula of Nikkomycin So(X) is C12H14N2O9.
What is the molecular weight of Nikkomycin So(X)?
The molecular weight of Nikkomycin So(X) is 330.07 g/mol.
Where can I buy Nikkomycin So(X)?
You can request a quote for Nikkomycin So(X) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nikkomycin So(X)?
Yes, KEHONG BIO provides custom synthesis services for Nikkomycin So(X) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.