(1S,2S,3R,4S,5S,6R)-3,5,6-Trihydroxy-1,2,4-Cyclohexanetriyl Tris[Dihydrogen (Phosphate)]

Molecule SVG Image

Properties Simple | Detailed

Formula C6H15O15P3
IUPAC Name [(1s,2r,3s,4s,5r,6s)-2,3,5-trihydroxy-4,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate
Molecular Mass 420.096 g·mol−1
Heat of Formation -3733.7 ± 16.7 kJ·mol−1
Dipole Moment 3.06 ± 1.08 D
Volume 379.7 Å 3
Surface Area 306.45 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4,5-insp3
  • [(1s,2r,3s,4s,5r,6s)-2,4,5-trihydroxy-3,6-diphosphonooxy-cyclohexyl] dihydrogen phosphate
  • [(1s,2r,3s,4s,5r,6s)-2,4,5-trihydroxy-3,6-diphosphonooxycyclohexyl] dihydrogen phosphate
  • d-myo-inositol, 1,4,5-tris(dihydrogen phosphate)
  • inositol 1,4,5-triphosphate
  • myo-inositol 1,4,5-trisphosphate
  • myo-inositol, 1,4,5-tris(dihydrogen phosphate)
InChIKey MMWCIQZXVOZEGG-HOZKJCLWSA-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