[(2S,3R,4S,5R,6R)-5-azido-4-methoxy-2-[(2S,3S,4R,5R,6S)-3-methoxy-2-methyl-5-phenylmethoxy-6-phenylsulfanyl-oxan-4-yl]oxy-6-methyl-oxan-3-yl] ethanoate

Systemtic Name: [(2S,3R,4S,5R,6R)-5-azido-4-methoxy-2-[(2S,3S,4R,5R,6S)-3-methoxy-2-methyl-5-phenylmethoxy-6-phenylsulfanyl-oxan-4-yl]oxy-6-methyl-oxan-3-yl] ethanoate Openeye Name: [(2S,3R,4S,5R,6R)-5-azido-2-[(2S,3S,4R,5R,6S)-5-benzyloxy-3-methoxy-2-methyl-6-phenylsulfanyl-tetrahydropyran-4-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2S,3R,4S,5R,6R)-5-azido-4-methoxy-2-[[(2S,3S,4R,5R,6S)-3-methoxy-2-methyl-5-phenylmethoxy-6-(phenylthio)-4-oxanyl]oxy]-6-methyl-3-oxanyl] ester IUPAC Name: [(2S,3R,4S,5R,6R)-5-azido-4-methoxy-2-[(2S,3S,4R,5R,6S)-3-methoxy-2-methyl-5-phenylmethoxy-6-phenylsulfanyloxan-4-yl]oxy-6-methyloxan-3-yl] acetate Traditional Name: acetic acid [(2S,3R,4S,5R,6R)-5-azido-2-[(2S,3S,4R,5R,6S)-5-benzoxy-3-methoxy-2-methyl-6-(phenylthio)tetrahydropyran-4-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-3-yl] ester Formula: C29H37N3O8S MolecularWeight: 587.68438

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(OC(C2OCC3=CC=CC=C3)SC4=CC=CC=C4)C)OC)OC(=O)C)OC)N=[N+]=[N-]

Isomeric SMILES

C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@H]([C@@H]2OCC3=CC=CC=C3)SC4=CC=CC=C4)C)OC)OC(=O)C)OC)N=[N+]=[N-]

InChI

InChI=1S/C29H37N3O8S/c1-17-22(31-32-30)24(35-5)26(39-19(3)33)28(37-17)40-25-23(34-4)18(2)38-29(41-21-14-10-7-11-15-21)27(25)36-16-20-12-8-6-9-13-20/h6-15,17-18,22-29H,16H2,1-5H3/t17-,18+,22-,23+,24+,25-,26-,27-,28+,29+/m1/s1