2,4-Dideoxy-1-C-{3-Hydroxy-4-[(4E,6Z,12E,14Z)-10-Hydroxy-3,15-Dimethoxy-7,9,11,13-Tetramethyl-16-Oxooxacyclohexadeca-4,6,12,14-Tetraen-2-Yl]-2-Pentanyl}-5-Isopropyl-4-Methylpentopyranose

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Properties Simple | Detailed

Formula C35H58O9
IUPAC Name (3z,5e,11z,13e)-16-[4-(2,4-dihydroxy-5-methyl-6-propan-2-yloxan-2-yl)-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
Molecular Mass 622.830 g·mol−1
Heat of Formation 2787.5 ± 16.7 kJ·mol−1
Dipole Moment 5.34 ± 1.08 D
Volume 599.35 Å 3
Surface Area 475.25 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy -2.49 ± eV
Point Group Symmetry C1
Synonyms
  • (3z,5e,11z,13e)-16-[3-(2,4-dihydroxy-6-isopropyl-5-methyl-2-tetrahydropyranyl)-2-hydroxy-1-methylbutyl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
  • (3z,5e,11z,13e)-16-[3-(2,4-dihydroxy-6-isopropyl-5-methyl-tetrahydropyran-2-yl)-2-hydroxy-1-methyl-butyl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
  • (3z,5e,11z,13e)-16-[4-(2,4-dihydroxy-5-methyl-6-propan-2-yl-oxan-2-yl)-3-hydroxy-pentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
  • bafilomycin a1 from streptomyces griseus
InChIKey XDHNQDDQEHDUTM-WFZUABJKSA-N
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