(2R)-3-[(5,6-Diphenyl-7H-Pyrrolo[2,3-D]Pyrimidin-4-Yl)Amino]-1,2-Propanediol

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Properties Simple | Detailed

Formula C21H20N4O2
IUPAC Name (2r)-3-[(5,6-diphenylpyrrolo[2,3-d]pyrimidin-7-ium-1-id-4-yl)amino]propane-1,2-diol
Molecular Mass 360.409 g·mol−1
Heat of Formation 14.8 ± 16.7 kJ·mol−1
Dipole Moment 3.49 ± 1.08 D
Volume 437.63 Å 3
Surface Area 360.97 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy 2.85 ± eV
Point Group Symmetry C1
Synonyms
  • 2
  • d
  • f
InChIKey TWEONIHFGKSPLC-MRXNPFEDSA-N
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