[(1S,2S,4R)-4-{4-[(1S)-2,3-Dihydro-1H-Inden-1-Ylamino]-7H-Pyrrolo[2,3-D]Pyrimidin-7-Yl}-2-Hydroxycyclopentyl]Methyl Sulfamate

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Properties Simple | Detailed

Formula C21H25N5O4S
IUPAC Name [(1s,2r,4r)-2-hydroxy-4-[4-[[(1s)-indan-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-ium-7-yl]cyclopentyl]methyl sulfamate
Molecular Mass 443.519 g·mol−1
Heat of Formation -419.5 ± 16.7 kJ·mol−1
Dipole Moment 5.47 ± 1.08 D
Volume 497.91 Å 3
Surface Area 425.13 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy 2.92 ± eV
Point Group Symmetry C1
InChIKey MPUQHZXIXSTTDU-QGWWYQLQSA-N
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