Neopolyoxin B
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|3-[5-[1-[[2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]-2-hydroxy-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]-2-oxo-1H-imidazole-5-carboxylic acid
| Molecular Formula | C20H25N5O11 |
|---|---|
| Molecular Weight | 511.15506 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 |
| Monoisotopic 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 511.15506 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.