Gluconasturtiin

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Formula C15H21NO9S2
IUPAC Name [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1e)-3-phenyl-n-sulfooxy-propanimidothioate
Molecular Mass 423.459 g·mol−1
Heat of Formation -1397.9 ± 16.7 kJ·mol−1
Dipole Moment 3.12 ± 1.08 D
Volume 448.33 Å 3
Surface Area 360.73 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • 1-thioglucopyranose 1-hydrocinnamohydroximate no-(hydrogen sulfate) beta-d-
  • 2-phenethylglucosinolate
  • [[3-phenyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-propylidene]amino] hydrogen sulfate
  • [[3-phenyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropylidene]amino] hydrogen sulfate
  • [[3-phenyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanyl-propylidene]amino] hydrogen sulfate
  • [[3-phenyl-1-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]thio]propylidene]amino] hydrogen sulfate
  • [[3-phenyl-1-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]thio]propylidene]amino] hydrogen sulfate
  • beta-d-glucopyranose, 1-thio-, 1-(n-(sulfooxy)benzenepropanimidate) (9ci)
  • glucopyranose, 1-thio-, 1-hydrocinnamohydroximate no-(hydrogen sulfate), beta-d-
InChIKey CKIJIGYDFNXSET-MFIRQCQASA-N
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