[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-6-[1,3-bis(bromanyl)propan-2-yloxy]-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4S,5R,6S)-4,5-diacetyloxy-6-[1,3-bis(bromanyl)propan-2-yloxy]-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5R,6S)-4,5-diacetoxy-6-[2-bromo-1-(bromomethyl)ethoxy]-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5R,6S)-4,5-diacetyloxy-6-(1,3-dibromopropan-2-yloxy)-3-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6S)-4,5-diacetyloxy-6-(1,3-dibromopropan-2-yloxy)-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5R,6S)-4,5-diacetoxy-6-[2-bromo-1-(bromomethyl)ethoxy]-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C29H40Br2O18 MolecularWeight: 836.4251

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC(CBr)CBr)OC(=O)C)OC(=O)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(CBr)CBr)OC(=O)C)OC(=O)C)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C29H40Br2O18/c1-12(32)39-10-20-22(41-14(3)34)24(42-15(4)35)27(45-18(7)38)29(48-20)49-23-21(11-40-13(2)33)47-28(46-19(8-30)9-31)26(44-17(6)37)25(23)43-16(5)36/h19-29H,8-11H2,1-7H3/t20-,21-,22-,23-,24+,25+,26-,27-,28-,29-/m1/s1