(2S)-2-{(2R,3R,5S,6S)-6-[(2S,3S,4S,6R)-6-{(2S,2'R,3'R,4S,5S,5'R)-5'-Ethyl-2'-Hydroxy-5'-[(1S)-1-Hydroxypropyl]-2,3',4-Trimethyloctahydro-2,2'-Bifuran-5-Yl}-3-Hydroxy-4-Methyl-5-Oxo-2-Octanyl]-2-Hydroxy-3,5-Dimethyltetrahydro-2H-Pyran-2-Yl}Propanoic Acid

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Properties Simple | Detailed

Formula C35H62O10
IUPAC Name (2s)-2-[(2s,3s,5r,6r)-2-[(1s,2s,3s,5r)-5-[(2s,3s,5s)-5-[(2r,3r,5r)-5-ethyl-2-hydroxy-3-methyl-5-[(1s)-1-oxidopropyl]tetrahydrofuran-2-yl]-3,5-dimethyl-tetrahydrofuran-2-yl]-1,3-di(methyl)-2-oxido-4-oxo-heptyl]-3,5-di(methyl)-6-oxido-2h-pyran-3,5-diid-6-yl]propanoate
Molecular Mass 642.861 g·mol−1
Heat of Formation -2427.5 ± 16.7 kJ·mol−1
Dipole Moment 1.90 ± 1.08 D
Volume 837.15 Å 3
Surface Area 572.33 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy 0.96 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[(2r,3r,5s,6s)-6-[(1s,2s,3s,5r)-5-[(2s,3s,5s)-5-[(2r,3r,5r)-5-ethyl-2-hydroxy-5-[(1s)-1-hydroxypropyl]-3-methyl-2-tetrahydrofuranyl]-3,5-dimethyl-2-tetrahydrofuranyl]-2-hydroxy-1,3-dimethyl-4-oxoheptyl]-2-hydroxy-3,5-dimethyl-2-tetrahydropyranyl]propanoic acid
  • (2s)-2-[(2r,3r,5s,6s)-6-[(1s,2s,3s,5r)-5-[(2s,3s,5s)-5-[(2r,3r,5r)-5-ethyl-2-hydroxy-5-[(1s)-1-hydroxypropyl]-3-methyl-tetrahydrofuran-2-yl]-3,5-dimethyl-tetrahydrofuran-2-yl]-2-hydroxy-1,3-dimethyl-4-oxo-heptyl]-2-hydroxy-3,5-dimethyl-tetrahydropyran-2-yl]propanoic acid
  • (2s)-2-[(2r,3r,5s,6s)-6-[(1s,2s,3s,5r)-5-[(2s,3s,5s)-5-[(2r,3r,5r)-5-ethyl-2-hydroxy-5-[(1s)-1-hydroxypropyl]-3-methyl-tetrahydrofuran-2-yl]-3,5-dimethyl-tetrahydrofuran-2-yl]-2-hydroxy-4-keto-1,3-dimethyl-heptyl]-2-hydroxy-3,5-dimethyl-tetrahydropyran-2-yl]propionic acid
  • (2s)-2-[(2r,3r,5s,6s)-6-[(2s,3s,4s,6r)-6-[(2s,3s,5s)-5-[(2r,3r,5r)-5-ethyl-2-hydroxy-5-[(1s)-1-hydroxypropyl]-3-methyl-oxolan-2-yl]-3,5-dimethyl-oxolan-2-yl]-3-hydroxy-4-methyl-5-oxo-octan-2-yl]-2-hydroxy-3,5-dimethyl-oxan-2-yl]propanoic acid
  • (2s)-2-[(2r,3r,5s,6s)-6-[(2s,3s,4s,6r)-6-[(2s,3s,5s)-5-[(2r,3r,5r)-5-ethyl-2-hydroxy-5-[(1s)-1-hydroxypropyl]-3-methyloxolan-2-yl]-3,5-dimethyloxolan-2-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-2-hydroxy-3,5-dimethyloxan-2-yl]propanoic acid
  • (2s)-2-methyllysocellin
  • antibiotic 5057b
  • ferensimycin b
  • lysocellin, 2-methyl-, (2s)-
CAS Number(s)
  • 83852-60-2
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