[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6R)-5-acetamido-4-acetyloxy-2-[acetyloxy(deuterio)methyl]-6-prop-2-enoxy-oxan-3-yl]oxy-3,4-diacetyloxy-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6R)-5-acetamido-4-acetyloxy-2-[acetyloxy(deuterio)methyl]-6-prop-2-enoxy-oxan-3-yl]oxy-3,4-diacetyloxy-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6R)-5-acetamido-4-acetoxy-2-[acetoxy(deuterio)methyl]-6-allyloxy-tetrahydropyran-3-yl]oxy-3,4-diacetoxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4R,5R,6S)-5-acetamido-6-[[(2R,3S,4R,5R,6R)-5-acetamido-4-acetyloxy-2-[acetyloxy(deuterio)methyl]-6-prop-2-enoxy-3-oxanyl]oxy]-3,4-diacetyloxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6R)-5-acetamido-4-acetyloxy-2-[acetyloxy(deuterio)methyl]-6-prop-2-enoxyoxan-3-yl]oxy-3,4-diacetyloxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6R)-5-acetamido-4-acetoxy-2-[acetoxy(deuterio)methyl]-6-allyloxy-tetrahydropyran-3-yl]oxy-3,4-diacetoxy-tetrahydropyran-2-yl]methyl ester Formula: C29H42N2O16 MolecularWeight: 675.653742

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OCC=C)COC(=O)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C

Isomeric SMILES

[2H]C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCC=C)NC(=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)NC(=O)C)OC(=O)C

InChI

InChI=1S/C29H42N2O16/c1-9-10-39-28-22(30-13(2)32)26(43-18(7)37)25(21(45-28)12-41-16(5)35)47-29-23(31-14(3)33)27(44-19(8)38)24(42-17(6)36)20(46-29)11-40-15(4)34/h9,20-29H,1,10-12H2,2-8H3,(H,30,32)(H,31,33)/t20-,21-,22-,23-,24-,25-,26-,27-,28-,29+/m1/s1/i12D/t12?,20-,21-,22-,23-,24-,25-,26-,27-,28-,29+