1-[(2R)-2-{(1S,2S)-8-[(2R,3R,4R,5R)-1-Acetyl-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Pyrrolidinyl]-1,2-Dihydroxyoctyl}-1-Piperidinyl]Ethanone

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Properties Simple | Detailed

Formula C22H40N2O7
IUPAC Name 1-[(2r)-2-[(1s,2s)-8-[(2r,3r,4r,5r)-1-acetyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1,2-dihydroxy-octyl]-1-piperidyl]ethanone
Molecular Mass 444.562 g·mol−1
Heat of Formation -1533.0 ± 16.7 kJ·mol−1
Dipole Moment 8.40 ± 1.08 D
Volume 558.73 Å 3
Surface Area 472.98 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 4.31 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2r,3r,4r,5r)-2-[(7s,8s)-8-[(2r)-1-acetyl-2-piperidinyl]-7,8-dihydroxyoctyl]-3,4-dihydroxy-5-(hydroxymethyl)-1-pyrrolidinyl]ethanone
  • 1-[(2r,3r,4r,5r)-2-[(7s,8s)-8-[(2r)-1-acetyl-2-piperidyl]-7,8-dihydroxy-octyl]-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-1-yl]ethanone
  • 1-[(2r,3r,4r,5r)-2-[(7s,8s)-8-[(2r)-1-acetyl-2-piperidyl]-7,8-dihydroxy-octyl]-3,4-dihydroxy-5-methylol-pyrrolidin-1-yl]ethanone
  • 1-[(2r,3r,4r,5r)-2-[(7s,8s)-8-[(2r)-1-acetylpiperidin-2-yl]-7,8-dihydroxyoctyl]-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-1-yl]ethanone
  • 1-[(2r,3r,4r,5r)-2-[(7s,8s)-8-[(2r)-1-ethanoylpiperidin-2-yl]-7,8-dihydroxy-octyl]-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-1-yl]ethanone
InChIKey YIEPZDPKKNJALX-OWLUANBVSA-N
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