[(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diazido-3-[[(2S,3R)-3-azido-6-(azidomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-oxidanyl-cyclohexyl]oxy-4-[ethanoyl(methyl)amino]-5-methyl-5-oxidanyl-oxan-3-yl] ethanoate

Systemtic Name: [(2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diazido-3-[[(2S,3R)-3-azido-6-(azidomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-oxidanyl-cyclohexyl]oxy-4-[ethanoyl(methyl)amino]-5-methyl-5-oxidanyl-oxan-3-yl] ethanoate Openeye Name: [(2R,3R,4R,5R)-4-[acetyl(methyl)amino]-2-[(1S,2S,3R,4S,6R)-4,6-diazido-3-[[(2S,3R)-3-azido-6-(azidomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxy-cyclohexoxy]-5-hydroxy-5-methyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2R,3R,4R,5R)-4-[acetyl(methyl)amino]-2-[(1S,2S,3R,4S,6R)-4,6-diazido-3-[[(2S,3R)-3-azido-6-(azidomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-hydroxy-5-methyl-3-oxanyl] ester IUPAC Name: [(2R,3R,4R,5R)-4-[acetyl(methyl)amino]-2-[(1S,2S,3R,4S,6R)-4,6-diazido-3-[[(2S,3R)-3-azido-6-(azidomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-hydroxy-5-methyloxan-3-yl] acetate Traditional Name: acetic acid [(2R,3R,4R,5R)-4-[acetyl(methyl)amino]-2-[(1S,2S,3R,4S,6R)-4,6-diazido-3-[[(2S,3R)-3-azido-6-(azidomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxy-cyclohexoxy]-5-hydroxy-5-methyl-tetrahydropyran-3-yl] ester Formula: C23H33N13O9 MolecularWeight: 635.58982

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)C1C(C(OCC1(C)O)OC2C(CC(C(C2O)OC3C(CC=C(O3)CN=[N+]=[N-])N=[N+]=[N-])N=[N+]=[N-])N=[N+]=[N-])OC(=O)C

Isomeric SMILES

CC(=O)N(C)[C@@H]1[C@H]([C@H](OC[C@]1(C)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CN=[N+]=[N-])N=[N+]=[N-])N=[N+]=[N-])N=[N+]=[N-])OC(=O)C

InChI

InChI=1S/C23H33N13O9/c1-10(37)36(4)20-19(42-11(2)38)22(41-9-23(20,3)40)45-18-15(31-35-27)7-14(30-34-26)17(16(18)39)44-21-13(29-33-25)6-5-12(43-21)8-28-32-24/h5,13-22,39-40H,6-9H2,1-4H3/t13-,14+,15-,16+,17-,18+,19-,20-,21-,22-,23+/m1/s1