(2S,3S)-3-{[7-(Benzylamino)-3-Isopropylpyrazolo[1,5-A]Pyrimidin-5-Yl]Amino}-1,2,4-Butanetriol

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Formula C20H28N5O3
IUPAC Name (2s,3s)-3-[[7-(benzylamino)-3-isopropyl-pyrazolo[1,5-a]pyrimidin-4-ium-3-id-5-yl]amino]butane-1,2,4-triol
Molecular Mass 386.468 g·mol−1
Heat of Formation -243.8 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 475.61 Å 3
Surface Area 407.84 Å 2
HOMO Energy -8.24 ± 0.55 eV
LUMO Energy 2.56 ± eV
Point Group Symmetry C1
InChIKey KRIWIRSMQRQYJG-DLBZAZTESA-N
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