(5R)-1-C-(Carboxymethyl)-2,4-Dideoxy-2-Ethyl-5-[(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]-4-Methyl-α-D-Ribopyranose

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Properties Simple | Detailed

Formula C35H62O11
IUPAC Name 2-[(2s,3r,4r,5s,6r)-3-ethyl-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]-2,4-dihydroxy-5-methyloxan-2-yl]acetic acid
Molecular Mass 658.860 g·mol−1
Heat of Formation -2630.0 ± 16.7 kJ·mol−1
Dipole Moment 4.05 ± 1.08 D
Volume 839.16 Å 3
Surface Area 590.79 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 0.65 ± eV
Point Group Symmetry C1
Synonyms
  • (5r)-4-demethyl-4-ethyl-5-hydroxylysocellin
  • 2-[(2s,3r,4r,5s,6r)-3-ethyl-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]-2,4-dihydroxy-5-methyl-2-tetrahydropyranyl]acetic acid
  • 2-[(2s,3r,4r,5s,6r)-3-ethyl-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]-2,4-dihydroxy-5-methyl-tetrahydropyran-2-yl]acetic acid
  • 2-[(2s,3r,4r,5s,6r)-3-ethyl-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]-2,4-dihydroxy-5-methyl-tetrahydropyran-2-yl]acetic acid
  • 2-[(2s,3r,4r,5s,6r)-3-ethyl-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]-2,4-dihydroxy-5-methyl-oxan-2-yl]ethanoic acid
  • antibiotic x 14873a
  • lysocellin, 4-demethyl-4-ethyl-5-hydroxy-, (5r)-
  • x 14873a
CAS Number(s)
  • 88263-37-0
InChIKey RBJNZOJIUIUXJZ-SKTXWQMBSA-N
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