N-D-Glucoside Of N-Cinnamoyl-N-Methylhistamine

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Properties Simple | Detailed

Formula C21H27N3O6
IUPAC Name (e)-n-methyl-3-phenyl-n-[2-[1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]imidazol-4-yl]ethyl]prop-2-enamide
Molecular Mass 417.456 g·mol−1
Heat of Formation -859.1 ± 16.7 kJ·mol−1
Dipole Moment 6.30 ± 1.08 D
Volume 494.87 Å 3
Surface Area 358.15 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-n-methyl-3-phenyl-n-[2-[1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-imidazolyl]ethyl]prop-2-enamide
  • (e)-n-methyl-3-phenyl-n-[2-[1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]imidazol-4-yl]ethyl]prop-2-enamide
  • (e)-n-methyl-3-phenyl-n-[2-[1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]imidazol-4-yl]ethyl]prop-2-enamide
  • (e)-n-methyl-3-phenyl-n-[2-[1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]imidazol-4-yl]ethyl]acrylamide
  • 2-propenamide, n-(2-(1-beta-d-glucopyranosyl-1h-imidazol-4-yl)ethyl)-n-methyl-3-phenyl-, (e)- (9ci)
  • 4-(2-(n-methyl-n-trans-cinnamoylamino)ethyl)-1-beta-d-glucopyranosylimidazole
  • casimiroedine
CAS Number(s)
  • 5853-02-1
InChIKey CSFQQZOIHVWGMN-BBAXEOEJSA-N
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