Benzylglucosinolate

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Properties Simple | Detailed

Formula C14H19NO9S2
IUPAC Name [[2-phenyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylethylidene]amino] sulfate
Molecular Mass 409.432 g·mol−1
Heat of Formation 852.8 ± 16.7 kJ·mol−1
Dipole Moment 4.88 ± 1.08 D
Volume 401.09 Å 3
Surface Area 356.07 Å 2
Point Group Symmetry C1
Synonyms
  • 1-s-[2-phenyl-n-(sulfonatooxy)ethanimidoyl]-1-thio-beta-d-glucopyranose
  • [[2-phenyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-ethylidene]amino] sulfate
  • [[2-phenyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanyl-ethylidene]amino] sulfate
  • [[2-phenyl-1-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]thio]ethylidene]amino] sulfate
  • [[2-phenyl-1-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]thio]ethylidene]amino] sulfate
  • glucotropaeolin
  • glucotropeolin
CAS Number(s)
  • 499-26-3
InChIKey QQGLQYQXUKHWPX-BXLHIMNRSA-M
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