4-Nitrophenyl 1-Thio-β-D-Mannopyranoside

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Properties Simple | Detailed

Formula C12H15NO7S
IUPAC Name (2r,3s,4s,5s,6s)-2-(hydroxymethyl)-6-(4-nitrophenyl)sulfanyl-tetrahydropyran-3,4,5-triol
Molecular Mass 317.315 g·mol−1
Heat of Formation -835.0 ± 16.7 kJ·mol−1
Dipole Moment 5.12 ± 1.08 D
Volume 339.19 Å 3
Surface Area 295.45 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy 1.57 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5s,6s)-2-(hydroxymethyl)-6-(4-nitrophenyl)sulfanyl-oxane-3,4,5-triol
  • (2r,3s,4s,5s,6s)-2-(hydroxymethyl)-6-(4-nitrophenyl)sulfanyl-tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5s,6s)-2-(hydroxymethyl)-6-[(4-nitrophenyl)thio]tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5s,6s)-2-methylol-6-[(4-nitrophenyl)thio]tetrahydropyran-3,4,5-triol
  • beta-d-mannopyranoside, 4-nitrophenyl 1-thio-
  • p-nitrophenyl 1-thio-beta-d-mannopyranoside
  • para-nitrophenyl 1-thio-beta-d-mannopyranoside
CAS Number(s)
  • 55385-51-8
InChIKey IXFOBQXJWRLXMD-GCHJQGSQSA-N
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