6-O-Phosphono-α-D-Tagatofuranose

Molecule SVG Image

Properties Simple | Detailed

Formula C6H13O9P
IUPAC Name [(2r,3r,4s,5s)-3,4,5-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 260.136 g·mol−1
Heat of Formation -1984.9 ± 16.7 kJ·mol−1
Dipole Moment 4.13 ± 1.08 D
Volume 258.47 Å 3
Surface Area 234.64 Å 2
HOMO Energy -10.09 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3r,4s,5s)-3,4,5-trihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3r,4s,5s)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3r,4s,5s)-3,4,5-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3r,4s,5s)-3,4,5-trihydroxy-5-methylol-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • d-tagatose-6-phosphate
CAS Number(s)
  • 53798-20-2
InChIKey BGWGXPAPYGQALX-VANKVMQKSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C O H