(3R,4S,5R)-5-[(2S)-3-fluoranyl-1-oxidanyl-1-oxidanylidene-2-phosphonooxy-propan-2-yl]oxy-4-oxidanyl-3-phosphonooxy-cyclohexene-1-carboxylic acid

Systemtic Name: (3R,4S,5R)-5-[(2S)-3-fluoranyl-1-oxidanyl-1-oxidanylidene-2-phosphonooxy-propan-2-yl]oxy-4-oxidanyl-3-phosphonooxy-cyclohexene-1-carboxylic acid Openeye Name: (3R,4S,5R)-5-[(1S)-1-(fluoromethyl)-2-hydroxy-2-oxo-1-phosphonooxy-ethoxy]-4-hydroxy-3-phosphonooxy-cyclohexene-1-carboxylic acid CAS Name: (3R,4S,5R)-5-[(2S)-3-fluoro-1-hydroxy-1-oxo-2-phosphonooxypropan-2-yl]oxy-4-hydroxy-3-phosphonooxy-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4S,5R)-5-[(2S)-3-fluoro-1-hydroxy-1-oxo-2-phosphonooxypropan-2-yl]oxy-4-hydroxy-3-phosphonooxycyclohexene-1-carboxylic acid Traditional Name: (3R,4S,5R)-5-[(1S)-1-(fluoromethyl)-2-hydroxy-2-keto-1-phosphonooxy-ethoxy]-4-hydroxy-3-phosphonooxy-cyclohexene-1-carboxylic acid Formula: C10H15FO14P2 MolecularWeight: 440.163625

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C=C1C(=O)O)OP(=O)(O)O)O)OC(CF)(C(=O)O)OP(=O)(O)O

Isomeric SMILES

C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O[C@@](CF)(C(=O)O)OP(=O)(O)O

InChI

InChI=1S/C10H15FO14P2/c11-3-10(9(15)16,25-27(20,21)22)23-5-1-4(8(13)14)2-6(7(5)12)24-26(17,18)19/h2,5-7,12H,1,3H2,(H,13,14)(H,15,16)(H2,17,18,19)(H2,20,21,22)/t5-,6-,7+,10-/m1/s1