Diethyl ({4-[(2S,3R)-2-({[(3R,3As,6Ar)-Hexahydrofuro[2,3-B]Furan-3-Yloxy]Carbonyl}Amino)-3-Hydroxy-4-{Isobutyl[(4-Methoxyphenyl)Sulfonyl]Amino}Butyl]Phenoxy}Methyl)Phosphonate

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Properties Simple | Detailed

Formula C33H49N2O12PS
IUPAC Name [(3as,4r,6ar)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] n-[(1s,2r)-1-[[4-(diethoxyphosphorylmethoxy)phenyl]methyl]-2-hydroxy-3-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]propyl]carbamate
Molecular Mass 728.787 g·mol−1
Heat of Formation -2325.9 ± 16.7 kJ·mol−1
Dipole Moment 2.90 ± 1.08 D
Volume 851.51 Å 3
Surface Area 602.75 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
Synonyms
  • [(3r,3as,6ar)-2,3,3a,4,5,6a-hexahydrofuro[5,4-b]furan-3-yl] n-[(1s,2r)-1-[[4-(diethoxyphosphorylmethoxy)phenyl]methyl]-2-hydroxy-3-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]propyl]carbamate
  • [(3r,3as,6ar)-2,3,3a,4,5,6a-hexahydrofuro[5,4-b]furan-3-yl] n-[(2s,3r)-1-[4-(diethoxyphosphorylmethoxy)phenyl]-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butan-2-yl]carbamate
  • carbamic acid, [(1s,2r)-1-[[4-[(diethoxyphosphinyl)methoxy]phenyl]methyl]-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]propyl]-, (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl ester
  • kgq
  • n-[(1s,2r)-1-[4-(diethoxyphosphorylmethoxy)benzyl]-2-hydroxy-3-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]propyl]carbamic acid [(3r,3as,6ar)-2,3,3a,4,5,6a-hexahydrofuro[5,4-b]furan-3-yl] ester
  • n-[(1s,2r)-1-[[4-(diethoxyphosphorylmethoxy)phenyl]methyl]-2-hydroxy-3-[isobutyl-(4-methoxyphenyl)sulfonylamino]propyl]carbamic acid [(3r,3as,6ar)-2,3,3a,4,5,6a-hexahydrofuro[5,4-b]furan-3-yl] ester
InChIKey FCLYPCIMVVLLRN-FXSYQQGGSA-N
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