2-[(3-Aminopropyl)Amino]-6-[(1R,2S)-1,2-Dihydroxypropyl]-4(1H)-Pteridinone

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Properties Simple | Detailed

Formula C12H18N6O3
IUPAC Name 2-(3-aminopropylamino)-6-[(1r,2s)-1,2-dihydroxypropyl]-1h-pteridin-4-one
Molecular Mass 294.310 g·mol−1
Heat of Formation -310.7 ± 16.7 kJ·mol−1
Dipole Moment 7.42 ± 1.08 D
Volume 339.3 Å 3
Surface Area 316.4 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3-aminopropylamino)-6-[(1r,2s)-1,2-dihydroxypropyl]-1h-pteridin-4-one
  • 4(1h)-pteridinone, 2-((3-aminopropyl)amino)-6-(1,2-dihydroxypropyl)-, (r-(r*,s*))-
  • oncopterin
CAS Number(s)
  • 143460-23-5
InChIKey BBFMPNKVCFIPPX-RCOVLWMOSA-N
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