(2R,3S,4R,5S)-5-(4-Aminophenoxy)-4-Hydroxy-2-({[(2S,3R,4R)-2,3,4,5-Tetrahydroxypentyl]Oxy}Methyl)Tetrahydro-3-Furanyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C16H26NO12P
IUPAC Name [(2r,3s,4r,5s)-5-(4-aminophenoxy)-4-hydroxy-2-[[(2s,3r,4r)-2,3,4,5-tetrahydroxypentoxy]methyl]tetrahydrofuran-3-yl] dihydrogen phosphate
Molecular Mass 455.351 g·mol−1
Heat of Formation -2475.4 ± 16.7 kJ·mol−1
Dipole Moment 4.59 ± 1.08 D
Volume 485.87 Å 3
Surface Area 377.37 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
Synonyms
  • 4-aminophenylribofuranoside 3-(ribit-5-yl phosphate)
  • [(2r,3s,4r,5s)-5-(4-aminophenoxy)-4-hydroxy-2-[[(2s,3r,4r)-2,3,4,5-tetrahydroxypentoxy]methyl]-3-tetrahydrofuranyl] dihydrogen phosphate
  • [(2r,3s,4r,5s)-5-(4-aminophenoxy)-4-hydroxy-2-[[(2s,3r,4r)-2,3,4,5-tetrahydroxypentoxy]methyl]oxolan-3-yl] dihydrogen phosphate
  • [(2r,3s,4r,5s)-5-(4-aminophenoxy)-4-hydroxy-2-[[(2s,3r,4r)-2,3,4,5-tetrahydroxypentoxy]methyl]tetrahydrofuran-3-yl] dihydrogen phosphate
  • aprrp
CAS Number(s)
  • 104826-49-5
InChIKey LTSGNSLJCPXLOX-PLEMRLBDSA-N
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