(2S)-4-(6-Amino-9H-Purin-9-Yl)-1,2-Butanediol

Molecule SVG Image

Properties Simple | Detailed

Formula C9H13N5O2
IUPAC Name (2s)-4-(6-aminopurin-9-ium-9-yl)butane-1,2-diol
Molecular Mass 223.232 g·mol−1
Heat of Formation -144.4 ± 16.7 kJ·mol−1
Dipole Moment 4.28 ± 1.08 D
Volume 258.75 Å 3
Surface Area 247.57 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-4-(6-amino-9-purinyl)butane-1,2-diol
  • (2s)-4-(6-aminopurin-9-yl)butane-1,2-diol
  • (s)-4-(6-amino-9h-purin-9-yl)-1,2-butanediol
  • 1,2-butanediol, 4-(6-amino-9h-purin-9-yl)-, (s)-
  • 9-(3,4-dihydroxybutyl)adenine
  • 9-[(s)-3,4-dihydroxybutyl]adenine
  • 9-dhbad
CAS Number(s)
  • 69926-59-6
InChIKey SJTGBHCHRMNUPZ-LURJTMIESA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N