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

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Formula C12H18N6O3
IUPAC Name 2-(3-aminopropylamino)-6-[(1r,2s)-1,2-dihydroxypropyl]-1h-pteridine-3,5,8-triium-4-one
Molecular Mass 294.310 g·mol−1
Heat of Formation -294.7 ± 16.7 kJ·mol−1
Dipole Moment 7.28 ± 1.08 D
Volume 341.47 Å 3
Surface Area 319.5 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy -1.37 ± eV
Point Group Symmetry C1
InChIKey BBFMPNKVCFIPPX-MUWHJKNJSA-O
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