1,4:3,6-Dianhydro-2,5-Bis-O-(3-Carbamimidoylphenyl)-D-Glucitol

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Properties Simple | Detailed

Formula C20H22N4O4
IUPAC Name 3-[[(3s,3ar,6r,6ar)-6-(3-carbamimidoylphenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]benzamidine
Molecular Mass 382.413 g·mol−1
Heat of Formation -278.3 ± 16.7 kJ·mol−1
Dipole Moment 1.42 ± 1.08 D
Volume 441.64 Å 3
Surface Area 392.41 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • 2,5-bis-o-{3-[amino(imino)methyl]phenyl}-1,4:3,6-dianhydro-d-glucitol
  • 2,5-o,o-bis-(3',3"-amidinophenyl)-1,4:3,6-dianhydro-d-sorbitol
  • 3-[[(3s,3ar,6r,6ar)-6-(3-amidinophenoxy)-2,3,3a,5,6,6a-hexahydrofuro[2,3-d]furan-3-yl]oxy]benzamidine
  • 3-[[(3s,3ar,6r,6ar)-6-(3-carbamimidoylphenoxy)-2,3,3a,5,6,6a-hexahydrofuro[2,3-d]furan-3-yl]oxy]benzamidine
  • 3-[[(3s,3ar,6r,6ar)-6-(3-carbamimidoylphenoxy)-2,3,3a,5,6,6a-hexahydrofuro[2,3-d]furan-3-yl]oxy]benzenecarboximidamide
  • tl1
InChIKey IBIUTOFGXGGVKQ-XMTFNYHQSA-N
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