4-Nitrophenyl 1-Thio-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C12H15NO7S
IUPAC Name (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-(4-nitrophenyl)sulfanyl-tetrahydropyran-3,4,5-triol
Molecular Mass 317.315 g·mol−1
Heat of Formation -835.9 ± 16.7 kJ·mol−1
Dipole Moment 4.91 ± 1.08 D
Volume 348.22 Å 3
Surface Area 297.47 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -1.61 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-(4-nitrophenyl)sulfanyl-oxane-3,4,5-triol
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-(4-nitrophenyl)sulfanyl-tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-(4-nitrophenyl)sulfanyloxane-3,4,5-triol
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[(4-nitrophenyl)thio]tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5r,6s)-2-methylol-6-[(4-nitrophenyl)thio]tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[4-(dihydroxyamino)phenyl]sulfanyl-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[[4-(dihydroxyamino)phenyl]thio]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[[4-(dihydroxyamino)phenyl]thio]-6-methylol-tetrahydropyran-3,4,5-triol
  • para-nitrophenyl 1-thio-beta-d-glucopyranoside
  • psg
InChIKey IXFOBQXJWRLXMD-ZIQFBCGOSA-N
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