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

Systemtic Name: (3R,4S,5R)-4-oxidanyl-5-[(2S)-1-oxidanyl-1-oxidanylidene-2-phosphono-propan-2-yl]oxy-3-phosphonooxy-cyclohexene-1-carboxylic acid Openeye Name: (3R,4S,5R)-4-hydroxy-5-[(1S)-2-hydroxy-1-methyl-2-oxo-1-phosphono-ethoxy]-3-phosphonooxy-cyclohexene-1-carboxylic acid CAS Name: (3R,4S,5R)-4-hydroxy-5-[(2S)-1-hydroxy-1-oxo-2-phosphonopropan-2-yl]oxy-3-phosphonooxy-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4S,5R)-4-hydroxy-5-[(2S)-1-hydroxy-1-oxo-2-phosphonopropan-2-yl]oxy-3-phosphonooxycyclohexene-1-carboxylic acid Traditional Name: (3R,4S,5R)-4-hydroxy-5-[(1S)-2-hydroxy-2-keto-1-methyl-1-phosphono-ethoxy]-3-phosphonooxy-cyclohexene-1-carboxylic acid Formula: C10H16O13P2 MolecularWeight: 406.173762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)(OC1CC(=CC(C1O)OP(=O)(O)O)C(=O)O)P(=O)(O)O

Isomeric SMILES

C[C@](C(=O)O)(O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O)P(=O)(O)O

InChI

InChI=1S/C10H16O13P2/c1-10(9(14)15,24(16,17)18)22-5-2-4(8(12)13)3-6(7(5)11)23-25(19,20)21/h3,5-7,11H,2H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)(H2,19,20,21)/t5-,6-,7+,10+/m1/s1