2-[[(2R,3S,4S,5R)-5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[[(2R,3S,4S,5R)-5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[(2R,3S,4S,5R)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[(2R,3S,4S,5R)-5-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[(2R,3S,4S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[(2R,3S,4S,5R)-5-(5-fluoro-2,4-diketo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-(1H-indol-3-yl)propionic acid Formula: C20H21FN3O11P MolecularWeight: 529.366404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)OP(=O)(O)OCC3C(C(C(O3)N4C=C(C(=O)NC4=O)F)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)OP(=O)(O)OC[C@@H]3[C@H]([C@@H]([C@@H](O3)N4C=C(C(=O)NC4=O)F)O)O

InChI

InChI=1S/C20H21FN3O11P/c21-11-7-24(20(30)23-17(11)27)18-16(26)15(25)14(34-18)8-33-36(31,32)35-13(19(28)29)5-9-6-22-12-4-2-1-3-10(9)12/h1-4,6-7,13-16,18,22,25-26H,5,8H2,(H,28,29)(H,31,32)(H,23,27,30)/t13?,14-,15-,16+,18-/m1/s1