(1R)-1,5-Anhydro-1-(5-Methyl-1,3-Benzothiazol-2-Yl)-D-Glucitol

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Formula C14H17NO5S
IUPAC Name (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-(5-methyl-1,3-benzothiazol-2-yl)tetrahydropyran-3,4,5-triol
Molecular Mass 311.353 g·mol−1
Heat of Formation -756.2 ± 16.7 kJ·mol−1
Dipole Moment 4.00 ± 1.08 D
Volume 344.55 Å 3
Surface Area 310.38 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5s,6r)-2-(5-methyl-1,3-benzothiazol-2-yl)-6-methylol-tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-(5-methyl-1,3-benzothiazol-2-yl)oxane-3,4,5-triol
  • (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-(5-methyl-1,3-benzothiazol-2-yl)tetrahydropyran-3,4,5-triol
InChIKey WGJFWQVWYRZPEP-KABOQKQYSA-N
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