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

Systemtic Name: (3R,4S,5R)-4-oxidanyl-3-[(2S)-1-oxidanyl-1-oxidanylidene-2-phosphonooxy-propan-2-yl]oxy-5-phosphonooxy-cyclohexene-1-carboxylic acid Openeye Name: (3R,4S,5R)-4-hydroxy-3-[(1S)-2-hydroxy-1-methyl-2-oxo-1-phosphonooxy-ethoxy]-5-phosphonooxy-cyclohexene-1-carboxylic acid CAS Name: (3R,4S,5R)-4-hydroxy-3-[(2S)-1-hydroxy-1-oxo-2-phosphonooxypropan-2-yl]oxy-5-phosphonooxy-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4S,5R)-4-hydroxy-3-[(2S)-1-hydroxy-1-oxo-2-phosphonooxypropan-2-yl]oxy-5-phosphonooxycyclohexene-1-carboxylic acid Traditional Name: (3R,4S,5R)-4-hydroxy-3-[(1S)-2-hydroxy-2-keto-1-methyl-1-phosphonooxy-ethoxy]-5-phosphonooxy-cyclohexene-1-carboxylic acid Formula: C10H16O14P2 MolecularWeight: 422.173162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)(OC1C=C(CC(C1O)OP(=O)(O)O)C(=O)O)OP(=O)(O)O

Isomeric SMILES

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

InChI

InChI=1S/C10H16O14P2/c1-10(9(14)15,24-26(19,20)21)22-5-2-4(8(12)13)3-6(7(5)11)23-25(16,17)18/h2,5-7,11H,3H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)(H2,19,20,21)/t5-,6-,7+,10+/m1/s1