methyl (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5S,6R)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-fluoranyl-5-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-3,5-bis(oxidanyl)-6-(phenylmethoxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate

Systemtic Name: methyl (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5S,6R)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-fluoranyl-5-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-3,5-bis(oxidanyl)-6-(phenylmethoxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Openeye Name: methyl (2S,4S,5R,6R)-5-acetamido-4-acetoxy-2-[(2R,3S,4S,5R,6R)-2-(benzyloxymethyl)-6-[(2R,3S,4R,5R,6S)-2-(benzyloxymethyl)-5-(1,3-dioxoisoindolin-2-yl)-6-fluoro-3-[(2S,3S,4R,5R,6S)-3,4,5-tribenzyloxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-4-yl]oxy-3,5-dihydroxy-tetrahydropyran-4-yl]oxy-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylate CAS Name: (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-[[(2R,3R,4S,5S,6R)-2-[[(2S,3R,4R,5S,6R)-3-(1,3-dioxo-2-isoindolyl)-2-fluoro-5-[[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)-2-oxanyl]oxy]-6-(phenylmethoxymethyl)-4-oxanyl]oxy]-3,5-dihydroxy-6-(phenylmethoxymethyl)-4-oxanyl]oxy]-6-[(1S,2R)-1,2,3-triacetyloxypropyl]-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5S,6R)-3-(1,3-dioxoisoindol-2-yl)-2-fluoro-5-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Traditional Name: (2S,4S,5R,6R)-5-acetamido-4-acetoxy-2-[(2R,3S,4S,5R,6R)-2-(benzoxymethyl)-6-[(2R,3S,4R,5R,6S)-2-(benzoxymethyl)-6-fluoro-5-phthalimido-3-[(2S,3S,4R,5R,6S)-3,4,5-tribenzoxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-4-yl]oxy-3,5-dihydroxy-tetrahydropyran-4-yl]oxy-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylic acid methyl ester Formula: C81H91FN2O27 MolecularWeight: 1543.584843

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(OC(C(C2OC3C(C(C(C(O3)COCC4=CC=CC=C4)O)OC5(CC(C(C(O5)C(C(COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)C(=O)OC)O)N6C(=O)C7=CC=CC=C7C6=O)F)COCC8=CC=CC=C8)OCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1

Isomeric SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COCC4=CC=CC=C4)O)O[C@@]5(C[C@@H]([C@H]([C@@H](O5)[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)C(=O)OC)O)N6C(=O)C7=CC=CC=C7C6=O)F)COCC8=CC=CC=C8)OCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1

InChI

InChI=1S/C81H91FN2O27/c1-46-67(99-40-54-29-17-10-18-30-54)73(100-41-55-31-19-11-20-32-55)74(101-42-56-33-21-12-22-34-56)79(102-46)108-69-61(44-97-39-53-27-15-9-16-28-53)106-75(82)64(84-76(92)57-35-23-24-36-58(57)77(84)93)71(69)109-78-66(91)72(65(90)60(107-78)43-96-38-52-25-13-8-14-26-52)111-81(80(94)95-7)37-59(103-49(4)87)63(83-47(2)85)70(110-81)68(105-51(6)89)62(104-50(5)88)45-98-48(3)86/h8-36,46,59-75,78-79,90-91H,37-45H2,1-7H3,(H,83,85)/t46-,59-,60+,61+,62+,63+,64+,65-,66+,67+,68+,69+,70+,71+,72-,73+,74-,75+,78-,79-,81-/m0/s1