(1S,2S)-1-(2,4-Diamino-6-Pteridinyl)-1,2-Propanediol

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Properties Simple | Detailed

Formula C9H12N6O2
IUPAC Name (1s,2s)-1-(2,4-diaminopteridin-6-yl)propane-1,2-diol
Molecular Mass 236.231 g·mol−1
Heat of Formation -96.7 ± 16.7 kJ·mol−1
Dipole Moment 4.12 ± 1.08 D
Volume 266.82 Å 3
Surface Area 242.13 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 1.96 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2s)-1-(2,4-diamino-6-pteridinyl)propane-1,2-diol
  • (1s,2s)-1-(2,4-diaminopteridin-6-yl)propane-1,2-diol
  • 4-aminobiopterin
  • 7ap
InChIKey ADPRPNXHOYFHIT-BBIVZNJYSA-N
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