Nikkomycin S(X)
TL;DR: Nikkomycin S(X) (CAS 140447-97-8) is a chemical compound with molecular formula C12H14N2O8 and molecular weight 314.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,3aS,5S,7R,7aR)-2-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,7-dihydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid
Also Known As: Nikkomycin S(X), Nikkomycin SX, Nikkomycin S-X, (2R,3R,3aS,5S,7R,7aR)-2-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,7-dihydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid, D-glycero-beta-D-allo-Octofuranuronic acid, 3,7-anhydro-1,6-dideoxy-1-(2,3-dihydro-4-formyl-2-oxo-1H-imidazol-1-yl)-
| Molecular Formula | C12H14N2O8 |
|---|---|
| Molecular Weight | 314.07 g/mol |
| LogP | -2.1498 |
| Topological Polar Surface Area | 151.08 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.075 |
| Heavy Atoms | 22 |
| Complexity | 651.79663 |
Chemical Identifiers
| CAS Number | 140447-97-8 |
|---|---|
| SMILES | C1[C@H]([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(NC3=O)C=O)O)O[C@@H]1C(=O)O)O |
Product Overview
Nikkomycin S(X) (CAS 140447-97-8), with molecular formula C12H14N2O8 and molecular weight 314.07 g/mol. IUPAC: (2R,3R,3aS,5S,7R,7aR)-2-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,7-dihydroxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-5-carboxylic acid.
Chemical Property Profile of Nikkomycin S(X)
Property Insights of Nikkomycin S(X)
The XLogP value of -2.1498 indicates that Nikkomycin S(X) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 151.08 Ų indicates high polarity, suggesting Nikkomycin S(X) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nikkomycin S(X) has 4 hydrogen bond donor(s) and 7 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 S(X)?
The CAS number of Nikkomycin S(X) is 140447-97-8.
What is the molecular formula of Nikkomycin S(X)?
The molecular formula of Nikkomycin S(X) is C12H14N2O8.
What is the molecular weight of Nikkomycin S(X)?
The molecular weight of Nikkomycin S(X) is 314.07 g/mol.
Where can I buy Nikkomycin S(X)?
You can request a quote for Nikkomycin S(X) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nikkomycin S(X)?
Yes, KEHONG BIO provides custom synthesis services for Nikkomycin S(X) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.