(2S)-3-(6-Amino-9H-Purin-9-Yl)-1,2-Propanediol

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Properties Simple | Detailed

Formula C8H11N5O2
IUPAC Name (2s)-3-(6-aminopurin-9-ium-9-yl)propane-1,2-diol
Molecular Mass 209.205 g·mol−1
Heat of Formation -120.2 ± 16.7 kJ·mol−1
Dipole Moment 3.41 ± 1.08 D
Volume 234.96 Å 3
Surface Area 227.54 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 2.69 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-(6-amino-9-purinyl)propane-1,2-diol
  • (2s)-3-(6-aminopurin-9-yl)propane-1,2-diol
  • (s)-3-(6-amino-9h-purin-9-yl)-1,2-propanediol
  • (s)-9-(2,3-dihydroxypropyl)adenine
  • 1,2-propanediol, 3-(6-amino-9h-purin-9-yl)-, (s)-
  • 9-(s)-(2,3-dihydroxypropyl)adenine
  • 9-d-(2,3-dihydroxypropyl)adenine
  • dhpa
  • dhpa, (s)-dhpa
  • s-dihydroxypropyladenine
CAS Number(s)
  • 54262-83-8
InChIKey GSLQFBVNOFBPRJ-YFKPBYRVSA-N
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