Nikkomycin B
TL;DR: Nikkomycin B (CAS 74342-20-4) is a chemical compound with molecular formula C21H26N4O10 and molecular weight 494.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-amino-4-hydroxy-4-(4-hydroxyphenyl)-3-methylbutanoyl]amino]-2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
Also Known As: Nikkomycin B, 2-[[2-amino-4-hydroxy-4-(4-hydroxyphenyl)-3-methylbutanoyl]amino]-2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid, beta-D-Allofuranuronic acid, 5-((2-amino-4-hydroxy-4-(4-hydroxyphenyl)-3-methyl-1-oxobutyl)amino)-1,5-dideoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)pyrimidinyl)-, (2S-(2R*,3R*,4R*))-, 1-(5-{[2-Amino-1,4-dihydroxy-4-(4-hydroxyphenyl)-3-methylbutylidene]amino}-5-deoxyhexofuranuronosyl)-4-hydroxypyrimidin-2(1H)-one, RefChem:165908
| Molecular Formula | C21H26N4O10 |
|---|---|
| Molecular Weight | 494.16 g/mol |
| LogP | -4.5 |
| Topological Polar Surface Area | 232.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 494.1649 |
| Heavy Atoms | 35 |
| Complexity | 861.0 |
Chemical Identifiers
| CAS Number | 74342-20-4 |
|---|---|
| SMILES | CC(C(C1=CC=C(C=C1)O)O)C(C(=O)NC(C2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)N |
| InChIKey | LQZKMASBFQOGJR-UHFFFAOYSA-N |
Product Overview
Nikkomycin B (CAS 74342-20-4), with molecular formula C21H26N4O10 and molecular weight 494.16 g/mol. IUPAC: 2-[[2-amino-4-hydroxy-4-(4-hydroxyphenyl)-3-methylbutanoyl]amino]-2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid.
Chemical Property Profile of Nikkomycin B
Property Insights of Nikkomycin B
The XLogP value of -4.5 indicates that Nikkomycin B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 232.0 Ų indicates high polarity, suggesting Nikkomycin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nikkomycin B has 8 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nikkomycin B?
The CAS number of Nikkomycin B is 74342-20-4.
What is the molecular formula of Nikkomycin B?
The molecular formula of Nikkomycin B is C21H26N4O10.
What is the molecular weight of Nikkomycin B?
The molecular weight of Nikkomycin B is 494.16 g/mol.
Where can I buy Nikkomycin B?
You can request a quote for Nikkomycin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nikkomycin B?
Yes, KEHONG BIO provides custom synthesis services for Nikkomycin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.