(5R,6R,7S,8S)-2-(Anilinomethyl)-5-(Hydroxymethyl)-5,6,7,8-Tetrahydroimidazo[1,2-A]Pyridine-6,7,8-Triol

Molecule SVG Image

Properties Simple | Detailed

Formula C15H19N3O4
IUPAC Name (5r,6r,7s,8s)-2-(anilinomethyl)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
Molecular Mass 305.329 g·mol−1
Heat of Formation -505.1 ± 16.7 kJ·mol−1
Dipole Moment 4.40 ± 1.08 D
Volume 349.76 Å 3
Surface Area 319.06 Å 2
HOMO Energy -8.18 ± 0.55 eV
LUMO Energy 3.19 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,6r,7s,8s)-3-(anilinomethyl)-5,6,7,8-tetrahydro-5-(hydroxymethyl)-imidazo[1,2-a]pyridine-6,7,8-triol
  • (5r,6r,7s,8s)-5-(hydroxymethyl)-2-[(phenylamino)methyl]-5,6,7,8-tetrahydroimidazo[2,1-f]pyridine-6,7,8-triol
  • (5r,6r,7s,8s)-5-methylol-2-[(phenylamino)methyl]-5,6,7,8-tetrahydroimidazo[2,1-f]pyridine-6,7,8-triol
InChIKey ADKWVGPRAQKVKB-YIYPIFLZSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N