[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-{[(2S,3R,4S,5S,6R)-4-(Dimethylamino)-3,5-Dihydroxy-6-Methyltetrahydro-2H-Pyran-2-Yl]Oxy}-10-{[(2R,5S,6R)-5-(Dimethylamino)-6-Methyltetrahydro-2H-Pyran-2-Yl]Oxy}-4-Hydroxy-5-Methoxy-9,16-Dimethyl-2-Oxooxacyclohexadeca-11,13-Dien-7-Yl]Acetaldehyde

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Properties Simple | Detailed

Formula C36H62N2O11
IUPAC Name 2-[(4r,5s,6s,7r,9r,10r,11e,13e,16r)-6-[(2s,3r,4s,5s,6r)-4-dimethylamino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-10-[(2r,5s,6r)-5-dimethylamino-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
Molecular Mass 698.884 g·mol−1
Heat of Formation -1998.4 ± 16.7 kJ·mol−1
Dipole Moment 4.94 ± 1.08 D
Volume 887.38 Å 3
Surface Area 634.98 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy 0.64 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(4r,5s,6s,7r,9r,10r,11e,13e,16r)-6-[(2s,3r,4s,5s,6r)-4-dimethylamino-3,5-dihydroxy-6-methyl-oxan-2-yl]oxy-10-[(2r,5s,6r)-5-dimethylamino-6-methyl-oxan-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]ethanal
  • 2-[(4r,5s,6s,7r,9r,10r,11e,13e,16r)-6-[(2s,3r,4s,5s,6r)-4-dimethylamino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-[(2r,5s,6r)-5-dimethylamino-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-2-keto-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
  • 2-[(4r,5s,6s,7r,9r,10r,11e,13e,16r)-6-[(2s,3r,4s,5s,6r)-4-dimethylamino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-[(2r,5s,6r)-5-dimethylamino-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
  • 2-[(4r,5s,6s,7r,9r,10r,11e,13e,16r)-6-[[(2s,3r,4s,5s,6r)-4-dimethylamino-3,5-dihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-10-[[(2r,5s,6r)-5-dimethylamino-6-methyl-2-tetrahydropyranyl]oxy]-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
  • leucomycin v, 4a-o-de(2,6-dideoxy-3-c-methyl-alpha-l-ribo-hexopyranosyl)-9-o-(5-(dimethylamino)tetrahydro-6-methyl-2h-pyran-2-yl)-, (9(2r,5s,6r))-
  • neospiramycin
  • neospiramycin i
CAS Number(s)
  • 102418-06-4
  • 70253-62-2
InChIKey SUBWVHAACKTENX-XLGVTROISA-N
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