Polyoxin E
TL;DR: Polyoxin E (CAS 22976-87-0) is a chemical compound with molecular formula C17H23N5O13 and molecular weight 505.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,3R,4S,5R)-5-[[(2-amino-5-carbamoyloxy-4-hydroxypentanoyl)amino]-carboxymethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylic acid
Also Known As: Polyoxin E, beta-D-Allofuranuronic acid, 5-((2-amino-5-O-(aminocarbonyl)-2,3-dideoxy-L-erythro-pentonoyl)amino)-1-(5-carboxy-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-1,5-dideoxy-, 1-[(2R,3R,4S,5R)-5-[[(2-amino-5-carbamoyloxy-4-hydroxypentanoyl)amino]-carboxymethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylic acid, 1-[(2R,3R,4S,5R)-5-[1-[(2-amino-5-carbamoyloxy-4-hydroxypentanoyl)amino]-2-hydroxy-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylic acid, 1-((2R,3R,4S,5R)-5-(((2-amino-1,4-dihydroxy-5-(C-hydroxycarbonimidoyloxy)pentylidene)amino)(carboxy)methyl)-3,4-dihydroxyoxolan-2-yl)-4-hydroxy-2-oxo-1,2-dihydropyrimidine-5-carboxylate
| Molecular Formula | C17H23N5O13 |
|---|---|
| Molecular Weight | 505.13 g/mol |
| LogP | -5.403 |
| Topological Polar Surface Area | 306.82 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 505.12924 |
| Heavy Atoms | 35 |
| Complexity | 1100.5673 |
Chemical Identifiers
| CAS Number | 22976-87-0 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)C(C(=O)O)NC(=O)C(CC(COC(=O)N)O)N)O)O)C(=O)O |
Product Overview
Polyoxin E (CAS 22976-87-0), with molecular formula C17H23N5O13 and molecular weight 505.13 g/mol. IUPAC: 1-[(2R,3R,4S,5R)-5-[[(2-amino-5-carbamoyloxy-4-hydroxypentanoyl)amino]-carboxymethyl]-3,4-dihydroxyoxolan-2-yl]-2,4-dioxopyrimidine-5-carboxylic acid.
Chemical Property Profile of Polyoxin E
Property Insights of Polyoxin E
The XLogP value of -5.403 indicates that Polyoxin E is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 306.82 Ų indicates high polarity, suggesting Polyoxin E may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Polyoxin E has 9 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Polyoxin E?
The CAS number of Polyoxin E is 22976-87-0.
What is the molecular formula of Polyoxin E?
The molecular formula of Polyoxin E is C17H23N5O13.
What is the molecular weight of Polyoxin E?
The molecular weight of Polyoxin E is 505.13 g/mol.
Where can I buy Polyoxin E?
You can request a quote for Polyoxin E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Polyoxin E?
Yes, KEHONG BIO provides custom synthesis services for Polyoxin E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.