({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)Phosphonic Acid

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Formula C29H41N2O12PS
IUPAC Name [4-[(2s,3r)-2-[[(3as,4r,6ar)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxycarbonylamino]-3-hydroxy-4-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]butyl]phenoxy]methylphosphonic acid
Molecular Mass 672.681 g·mol−1
Heat of Formation -2295.6 ± 16.7 kJ·mol−1
Dipole Moment 7.75 ± 1.08 D
Volume 762.57 Å 3
Surface Area 588.35 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • [4-[(2s,3r)-2-[[(3r,3as,6ar)-2,3,3a,4,5,6a-hexahydrofuro[5,4-b]furan-3-yl]oxycarbonylamino]-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butyl]phenoxy]methylphosphonic acid
  • [4-[(2s,3r)-2-[[(3r,3as,6ar)-2,3,3a,4,5,6a-hexahydrofuro[5,4-b]furan-3-yl]oxycarbonylamino]-3-hydroxy-4-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]butyl]phenoxy]methylphosphonic acid
  • [4-[(2s,3r)-2-[[[(3r,3as,6ar)-2,3,3a,4,5,6a-hexahydrofuro[5,4-b]furan-3-yl]oxy-oxomethyl]amino]-3-hydroxy-4-[isobutyl-(4-methoxyphenyl)sulfonylamino]butyl]phenoxy]methylphosphonic acid
  • carbamic acid, [(1s,2r)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-[[4-(phosphonomethoxy)phenyl]methyl]propyl]-, (3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-yl ester
  • qfi
InChIKey VGMTVMSJTCIQMF-AJIIGFCHSA-N
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