Sparoxomycin A1
(E)-N-[1-hydroxy-3-(methylsulfinylmethylsulfinyl)propan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide
Also Known As: Sparoxomycin A1|Sparoxomycin A2|J3.113.321A|n-(1-hydroxy-3-{[(methylsulfinyl)methyl]sulfinyl}propan-2-yl)-3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)prop-2-enamide|2-Propenamide,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)-, (E)-(.+-.)-|(E)-N-[1-hydroxy-3-(methylsulfinylmethylsulfinyl)propan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide|1,2,3,4-Tetrahydro-2,4-dioxo-6-methyl-N-[1-(hydroxymethyl)-2-[[(methylsulfinyl)methyl]sulfinyl]ethyl]-5-pyrimidineacrylamide|N-(1-(Hydroxymethyl)-2-(((methylsulfinyl)methyl)sulfinyl)ethyl)-3-(1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)-2-propenamide|N-(1-hydroxy-3-methanesulfinylmethanesulfinylpropan-2-yl)-3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)prop-2-enamide
| Molecular Formula | C13H19N3O6S2 |
|---|---|
| Molecular Weight | 377.07153 g/mol |
| LogP | -2.05338 |
| Topological Polar Surface Area | 149.19 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 377.07153 |
| Monoisotopic Mass | 377.07153 |
| Heavy Atoms | 24 |
| Complexity | 782.6471 |
Chemical Identifiers
| CAS Number | 6299-01-0 |
|---|---|
| SMILES | CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)NC(CO)CS(=O)CS(=O)C |
Product Overview
Sparoxomycin A1 (CAS 6299-01-0), with molecular formula C13H19N3O6S2 and molecular weight 377.07153 g/mol. IUPAC: (E)-N-[1-hydroxy-3-(methylsulfinylmethylsulfinyl)propan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide.