(2R,3R,4R,5R)-2,5-Bis(Benzyloxy)-N-(2-Chloro-6-Fluorobenzyl)-3,4-Dihydroxy-N'-[(1S,2R)-2-Hydroxy-2,3-Dihydro-1H-Inden-1-Yl]Hexanediamide

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Properties Simple | Detailed

Formula C36H36ClFN2O7
IUPAC Name (2r,3r,4r,5r)-2,5-dibenzyloxy-n-[(2-chloro-6-fluoro-phenyl)methyl]-3,4-dihydroxy-n'-[(1s,2r)-2-hydroxyindan-1-yl]hexanediamide
Molecular Mass 663.132 g·mol−1
Heat of Formation -1133.7 ± 16.7 kJ·mol−1
Dipole Moment 3.35 ± 1.08 D
Volume 782.18 Å 3
Surface Area 594.98 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy 2.27 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r,5r)-2,5-bis(benzyloxy)-n-(2-chloro-6-fluoro-benzyl)-3,4-dihydroxy-n'-[(1s,2r)-2-hydroxyindan-1-yl]adipamide
  • (2r,3r,4r,5r)-n-[(2-chloro-6-fluoro-phenyl)methyl]-3,4-dihydroxy-n'-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-2,5-bis(phenylmethoxy)hexanediamide
  • (2r,3r,4r,5r)-n-[(2-chloro-6-fluoro-phenyl)methyl]-3,4-dihydroxy-n'-[(1s,2r)-2-hydroxyindan-1-yl]-2,5-bis(phenylmethoxy)hexanediamide
  • (2r,3r,4r,5r)-n-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydroxy-n'-[(1s,2r)-2-hydroxy-1-indanyl]-2,5-bis(phenylmethoxy)hexanediamide
  • (2r,3r,4r,5r)-n-[(2-chloro-6-fluorophenyl)methyl]-3,4-dihydroxy-n'-[(1s,2r)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]-2,5-bis(phenylmethoxy)hexanediamide
  • 2,5-dibenzyloxy-3,4-dihydroxy-hexanedioic acid 2-chloro-6-fluoro-benzylamide (2-hydroxy-indan-1- yl)-amide
  • msc
InChIKey BVPTXJDSYPTXMO-VQEIZDKSSA-N
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