Polyoxin J
2-[(2-amino-5-carbamoyloxy-3,4-dihydroxypentanoyl)amino]-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]acetic acid
Also Known As: Polyoxin J|Polyoxin G|(+)-Polyoxin J|beta-D-Allofuranuronic acid, 5-((2-amino-5-O-(aminocarbonyl)-2-deoxy-L-xylonoyl)amino)-1,5-dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-|2-[(2-amino-5-carbamoyloxy-3,4-dihydroxypentanoyl)amino]-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]acetic acid
| Molecular Formula | C17H25N5O12 |
|---|---|
| Molecular Weight | 491.14996 g/mol |
| LogP | -5.82198 |
| Topological Polar Surface Area | 289.75 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 491.14996 |
| Monoisotopic Mass | 491.14996 |
| Heavy Atoms | 34 |
| Complexity | 1040.4578 |
Chemical Identifiers
| CAS Number | 22976-89-2 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)C(C(=O)O)NC(=O)C(C(C(COC(=O)N)O)O)N)O)O |
Product Overview
Polyoxin J (CAS 22976-89-2), with molecular formula C17H25N5O12 and molecular weight 491.14996 g/mol. IUPAC: 2-[(2-amino-5-carbamoyloxy-3,4-dihydroxypentanoyl)amino]-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]acetic acid.