(4S)-2-[6-(β-D-Galactopyranosyloxy)-1,3-Benzothiazol-2-Yl]-4,5-Dihydro-1,3-Thiazole-4-Carboxylic Acid

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Properties Simple | Detailed

Formula C17H18N2O8S2
IUPAC Name (4s)-2-[6-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydrothiazole-4-carboxylic acid
Molecular Mass 442.463 g·mol−1
Heat of Formation -1119.0 ± 16.7 kJ·mol−1
Dipole Moment 3.36 ± 1.08 D
Volume 467.14 Å 3
Surface Area 398.06 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -1.47 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-2-[6-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
  • (4s)-2-[6-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydrothiazole-4-carboxylic acid
  • (4s)-2-[6-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydrothiazole-4-carboxylic acid
  • (4s)-2-[6-[[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,3-benzothiazol-2-yl]-4,5-dihydrothiazole-4-carboxylic acid
  • 4-thiazolecarboxylic acid, 2-(6-(beta-d-galactopyranosyloxy)-2-benzothiazolyl)-4,5-dihydro-, (4s)-
  • d-luciferin-o-beta-galactopyranoside
  • luciferin-o-gal
  • luciferin-o-galactopyranoside
CAS Number(s)
  • 131474-38-9
InChIKey OUKXHVUTHGDBNY-VEAFCXQSSA-N
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