Nikkomycin pseudo-J
TL;DR: Nikkomycin pseudo-J (CAS 120796-22-7) 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.
(2S)-2-[[(2S)-2-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methylbutanoyl]amino]-2-[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]amino]pentanedioic acid
Also Known As: Nikkomycin pseudo-J, (2S)-2-[[(2S)-2-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]-2-[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]amino]pentanedioic acid, L-Glutamic acid, N-(N-((3S,4S)-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-L-valyl)-2-(tetrahydro-3,4-dihydroxy-5-(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)-2-furanyl)glycyl)-, (2R-(2alpha,3beta,4beta,5alpha))-
| Molecular Formula | C25H32N6O13 |
|---|---|
| Molecular Weight | 624.20 g/mol |
| LogP | -6.9 |
| Topological Polar Surface Area | 320.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 13 |
| Exact Mass | 624.20276 |
| Heavy Atoms | 44 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 120796-22-7 |
|---|---|
| SMILES | C[C@H]([C@@H](C1=NC=C(C=C1)O)O)[C@@H](C(=O)N[C@@H](C2C(C(C(O2)C3=CNC(=O)NC3=O)O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N |
| InChIKey | ZWCOQJINVKEJCM-RXFLJLMGSA-N |
Product Overview
Nikkomycin pseudo-J (CAS 120796-22-7), with molecular formula C25H32N6O13 and molecular weight 624.20 g/mol. IUPAC: (2S)-2-[[(2S)-2-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methylbutanoyl]amino]-2-[5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]amino]pentanedioic acid.
Chemical Property Profile of Nikkomycin pseudo-J
Property Insights of Nikkomycin pseudo-J
The XLogP value of -6.9 indicates that Nikkomycin pseudo-J is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 320.0 Ų indicates high polarity, suggesting Nikkomycin pseudo-J may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nikkomycin pseudo-J has 11 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 pseudo-J?
The CAS number of Nikkomycin pseudo-J is 120796-22-7.
What is the molecular formula of Nikkomycin pseudo-J?
The molecular formula of Nikkomycin pseudo-J is C25H32N6O13.
What is the molecular weight of Nikkomycin pseudo-J?
The molecular weight of Nikkomycin pseudo-J is 624.20 g/mol.
Where can I buy Nikkomycin pseudo-J?
You can request a quote for Nikkomycin pseudo-J directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nikkomycin pseudo-J?
Yes, KEHONG BIO provides custom synthesis services for Nikkomycin pseudo-J and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.