5-Fluoropolyoxin M
(2S)-2-[[(2S,4R)-2-amino-5-carbamoyloxy-4-hydroxypentanoyl]amino]-2-[(3S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
Also Known As: 5-Fluoropolyoxin M|KST-1A5830|(2S)-2-[[(2S,4R)-2-amino-5-carbamoyloxy-4-hydroxypentanoyl]amino]-2-[(3S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid|(2s)-{[(2s,4r)-2-amino-5-(carbamoyloxy)-4-hydroxypentanoyl]amino}[(3s,4r,5r)-5-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]ethanoic acid(non-preferred name)|beta-D-Allofuranuronic acid, 5-((2-amino-5-O-(aminocarbonyl)-2,3-dideoxy-L-erythro-pentonoyl)amino)-1,5-dideoxy-1-(3,4-dihydro-5-fluoro-2,4-dioxo-1(2H)-pyrimidinyl)-|2-(2-amino-O5-carbamoyl-L-erythro-2,3-dideoxy-pentonoylamino)-1-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-|A-D-1,5-dideoxy-allofuranuronic acid
| Molecular Formula | C16H22FN5O11 |
|---|---|
| Molecular Weight | 479.12997 g/mol |
| LogP | -6.5 |
| Topological Polar Surface Area | 264.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 479.12997 |
| Monoisotopic Mass | 479.12997 |
| Heavy Atoms | 33 |
| Complexity | 855.0 |
Chemical Identifiers
| CAS Number | 5451-34-3 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H](C(O2)[C@@H](C(=O)O)NC(=O)[C@H](C[C@H](COC(=O)N)O)N)O)O)F |
| InChIKey | KYULUFZXTXHJAF-BCTDVDDYSA-N |
Product Overview
5-Fluoropolyoxin M (CAS 5451-34-3), with molecular formula C16H22FN5O11 and molecular weight 479.12997 g/mol. IUPAC: (2S)-2-[[(2S,4R)-2-amino-5-carbamoyloxy-4-hydroxypentanoyl]amino]-2-[(3S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid.