bis(9H-fluoren-9-ylmethyl) [(3R,4S,5S,8S)-1-iodanyl-4-methyl-8-[(2S,3S)-3-methyl-6-oxidanylidene-2,3-dihydropyran-2-yl]-3-oxidanyl-non-1-yn-5-yl] phosphate

Systemtic Name: bis(9H-fluoren-9-ylmethyl) [(3R,4S,5S,8S)-1-iodanyl-4-methyl-8-[(2S,3S)-3-methyl-6-oxidanylidene-2,3-dihydropyran-2-yl]-3-oxidanyl-non-1-yn-5-yl] phosphate Openeye Name: bis(9H-fluoren-9-ylmethyl) [(1S,2S,3R)-3-hydroxy-5-iodo-2-methyl-1-[(3S)-3-[(2S,3S)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]butyl]pent-4-ynyl] phosphate CAS Name: phosphoric acid bis(9H-fluoren-9-ylmethyl) [(3R,4S,5S,8S)-3-hydroxy-1-iodo-4-methyl-8-[(2S,3S)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]non-1-yn-5-yl] ester IUPAC Name: bis(9H-fluoren-9-ylmethyl) [(3R,4S,5S,8S)-3-hydroxy-1-iodo-4-methyl-8-[(2S,3S)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]non-1-yn-5-yl] phosphate Traditional Name: phosphoric acid bis(9H-fluoren-9-ylmethyl) [(1S,2S,3R)-3-hydroxy-5-iodo-1-[(3S)-3-[(2S,3S)-6-keto-3-methyl-2,3-dihydropyran-2-yl]butyl]-2-methyl-pent-4-ynyl] ester Formula: C44H44IO7P MolecularWeight: 842.694191

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC(=O)OC1C(C)CCC(C(C)C(C#CI)O)OP(=O)(OCC2C3=CC=CC=C3C4=CC=CC=C24)OCC5C6=CC=CC=C6C7=CC=CC=C57

Isomeric SMILES

C[C@H]1C=CC(=O)O[C@H]1[C@@H](C)CC[C@@H]([C@@H](C)[C@H](C#CI)O)OP(=O)(OCC2C3=CC=CC=C3C4=CC=CC=C24)OCC5C6=CC=CC=C6C7=CC=CC=C57

InChI

InChI=1S/C44H44IO7P/c1-28(44-29(2)21-23-43(47)51-44)20-22-42(30(3)41(46)24-25-45)52-53(48,49-26-39-35-16-8-4-12-31(35)32-13-5-9-17-36(32)39)50-27-40-37-18-10-6-14-33(37)34-15-7-11-19-38(34)40/h4-19,21,23,28-30,39-42,44,46H,20,22,26-27H2,1-3H3/t28-,29-,30-,41-,42-,44-/m0/s1