Neopolyoxin B
TL;DR: Neopolyoxin B (CAS 75005-71-9) is a chemical compound with molecular formula C20H25N5O11 and molecular weight 511.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[[[2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methylbutanoyl]amino]-carboxymethyl]-3,4-dihydroxyoxolan-2-yl]-2-oxo-1H-imidazole-5-carboxylic acid
Also Known As: Neopolyoxin B, 3-[5-[[[2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]-carboxymethyl]-3,4-dihydroxyoxolan-2-yl]-2-oxo-1H-imidazole-5-carboxylic acid, beta-D-Allofuranuronic acid, 5-((2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methyl-1-oxobutyl)amino)-1-(4-carboxy-2,3-dihydro-2-oxo-1H-imidazol-1-yl)-1,5-dideoxy-, (2S-(2R*,3R*,4R*))-, 1-(5-((2-Amino-1,4-dihydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutylidene)amino)-5-deoxyhexofuranuronosyl)-2-hydroxy-1H-imidazole-4-carboxylic acid, 1-(5-{[2-Amino-1,4-dihydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutylidene]amino}-5-deoxyhexofuranuronosyl)-2-hydroxy-1H-imidazole-4-carboxylic acid
| Molecular Formula | C20H25N5O11 |
|---|---|
| Molecular Weight | 511.16 g/mol |
| LogP | -5.7 |
| Topological Polar Surface Area | 265.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 511.15506 |
| Heavy Atoms | 36 |
| Complexity | 916.0 |
Chemical Identifiers
| CAS Number | 75005-71-9 |
|---|---|
| SMILES | CC(C(C1=NC=C(C=C1)O)O)C(C(=O)NC(C2C(C(C(O2)N3C=C(NC3=O)C(=O)O)O)O)C(=O)O)N |
| InChIKey | BQPHOTQSNGGNOY-UHFFFAOYSA-N |
Product Overview
Neopolyoxin B (CAS 75005-71-9), with molecular formula C20H25N5O11 and molecular weight 511.16 g/mol. IUPAC: 3-[5-[[[2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)-3-methylbutanoyl]amino]-carboxymethyl]-3,4-dihydroxyoxolan-2-yl]-2-oxo-1H-imidazole-5-carboxylic acid.
Chemical Property Profile of Neopolyoxin B
Property Insights of Neopolyoxin B
The XLogP value of -5.7 indicates that Neopolyoxin B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 265.0 Ų indicates high polarity, suggesting Neopolyoxin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Neopolyoxin B has 9 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Neopolyoxin B?
The CAS number of Neopolyoxin B is 75005-71-9.
What is the molecular formula of Neopolyoxin B?
The molecular formula of Neopolyoxin B is C20H25N5O11.
What is the molecular weight of Neopolyoxin B?
The molecular weight of Neopolyoxin B is 511.16 g/mol.
Where can I buy Neopolyoxin B?
You can request a quote for Neopolyoxin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neopolyoxin B?
Yes, KEHONG BIO provides custom synthesis services for Neopolyoxin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.