6-O-Phosphono-2-O-Thiophosphono-β-D-Fructofuranose

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Properties Simple | Detailed

Formula C6H14O11P2S
IUPAC Name [(2r,3s,4s,5s)-5-dihydroxyphosphinothioyloxy-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 356.181 g·mol−1
Heat of Formation -2682.5 ± 16.7 kJ·mol−1
Dipole Moment 1.99 ± 1.08 D
Volume 336.37 Å 3
Surface Area 270.75 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4s,5s)-5-dihydroxyphosphinothioyloxy-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4s,5s)-5-dihydroxyphosphinothioyloxy-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4s,5s)-5-dihydroxyphosphinothioyloxy-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4s,5s)-5-dihydroxythiophosphoryloxy-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • fructose 2-phosphorothioate 6-phosphate
  • thio-fru-2,6-p2
CAS Number(s)
  • 116482-98-5
InChIKey NSYGQXFQNXGXRD-ZXXMMSQZSA-N
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