Nikkomycin J
TL;DR: Nikkomycin J (CAS 77368-59-3) is a chemical compound with molecular formula C25H32N6O13 and molecular weight 624.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[[2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methylbutanoyl]amino]-2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]amino]pentanedioic acid
Also Known As: Nikkomycin J, 2-[[2-[[2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]-2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]amino]pentanedioic acid, 2-((2-((2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl)amino)-2-(5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl)acetyl)amino)pentanedioic acid, RefChem:165909, BRN 5212471
| Molecular Formula | C25H32N6O13 |
|---|---|
| Molecular Weight | 624.20 g/mol |
| LogP | -6.3 |
| Topological Polar Surface Area | 311.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 13 |
| Exact Mass | 624.20276 |
| Heavy Atoms | 44 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 77368-59-3 |
|---|---|
| SMILES | CC(C(C1=NC=C(C=C1)O)O)C(C(=O)NC(C2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)C(=O)NC(CCC(=O)O)C(=O)O)N |
| InChIKey | JGINXUGXMDDSJF-UHFFFAOYSA-N |
Product Overview
Nikkomycin J (CAS 77368-59-3), with molecular formula C25H32N6O13 and molecular weight 624.20 g/mol. IUPAC: 2-[[2-[[2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methylbutanoyl]amino]-2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]amino]pentanedioic acid.
Chemical Property Profile of Nikkomycin J
Property Insights of Nikkomycin J
The XLogP value of -6.3 indicates that Nikkomycin J is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 311.0 Ų indicates high polarity, suggesting Nikkomycin J may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nikkomycin J has 10 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nikkomycin J?
The CAS number of Nikkomycin J is 77368-59-3.
What is the molecular formula of Nikkomycin J?
The molecular formula of Nikkomycin J is C25H32N6O13.
What is the molecular weight of Nikkomycin J?
The molecular weight of Nikkomycin J is 624.20 g/mol.
Where can I buy Nikkomycin J?
You can request a quote for Nikkomycin J directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nikkomycin J?
Yes, KEHONG BIO provides custom synthesis services for Nikkomycin J and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.