AC1L9MFO structure

AC1L9MFO

[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4R,5R,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate

Also Known As: UDP-4-fluoro-4-deoxy-alpha-D-galactose|URIDINE-5'-DIPHOSPHATE-4-DEOXY-4-FLUORO-ALPHA-D-GALACTOSE|UFG|Uridine 5 -[diphosphoric acid P2-(4-fluoro-4-deoxy-alpha-D-galactopyranosyl)] ester|Uridine 5'-(Trihydrogen Diphosphate) P'-(4-Deoxy-4-fluoro-a-D-galactopyranosyl) Ester|[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4R,5R,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate|{[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[({[(2R,3R,4R,5R,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}(hydroxy)phosphoryl)oxy]phosphinic acid

CAS: 190852-32-5
Molecular Formula C15H23FN2O16P2
Molecular Weight 568.05066 g/mol
LogP -6.2
Topological Polar Surface Area 271.0 Ų
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 17
Rotatable Bonds 9
Exact Mass 568.05066
Monoisotopic Mass 568.05066
Heavy Atoms 36
Complexity 970.0

Chemical Identifiers

CAS Number 190852-32-5
SMILES C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)F)O)O)O)O
InChIKey OAPPZHVTNHJVAL-ABVWGUQPSA-N

Product Overview

AC1L9MFO (CAS 190852-32-5), with molecular formula C15H23FN2O16P2 and molecular weight 568.05066 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4R,5R,6R)-5-fluoro-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate.

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