{(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-Dihydroxy-1,3-Bis[4-(Hydroxymethyl)Benzyl]-1,3-Diazepan-2-Ylidene}Cyanamide

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Properties Simple | Detailed

Formula C36H38N4O4
IUPAC Name [(4r,5s,6s,7r)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[[4-(hydroxymethyl)phenyl]methyl]-1,3-diazepan-2-ylidene]cyanamide
Molecular Mass 590.711 g·mol−1
Heat of Formation -190.2 ± 16.7 kJ·mol−1
Dipole Moment 5.49 ± 1.08 D
Volume 720.86 Å 3
Surface Area 528.11 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy 2.60 ± eV
Point Group Symmetry C1
Synonyms
  • [(4r,5s,6s,7r)-4,7-bis(benzyl)-5,6-dihydroxy-1,3-bis(4-methylolbenzyl)-1,3-diazepan-2-ylidene]cyanamide
  • [(4r,5s,6s,7r)-5,6-dihydroxy-1,3-bis[[4-(hydroxymethyl)phenyl]methyl]-4,7-bis(phenylmethyl)-1,3-diazepan-2-ylidene]cyanamide
  • [4r-(4.alpha.,5.alpha.,6.beta.,7.beta.)]-hexahydro-5,6-dihydroxy-1,3-bis[(4-hydroxymethylphenyl)methyl]-4,7-bis(phenylmethyl)-2h-1,3-diazepin-2-ylidene]cyanamide
  • cyclic cyanoguanidine deriv. 8w
  • q82
  • q8261
  • {[4-r(-4-alpha,5-alpha,6-beta,7-beta)]-hexahydro-5,6-bis(hydroxy)-1,3-bis(4-hydroxymethyl)methyl]-4,7-bis(phenylmethyl)-2h-1,3-diazepin-2-ylidene]cyanamide}
InChIKey VLCZFBGXHAKRLP-WDKGQIBQSA-N
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