(1S,2S,4R)-4-[4-[[(1S)-Indan-1-Yl]Amino]-5H-Pyrrolo[2,3-D]Pyrimidin-7-Ium-1,4,5-Triid-7-Yl]-2-(Blahoxymethyl)Cyclopentanol

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Formula C21H29N5O4S
IUPAC Name (1s,2s,4r)-4-[4-[[(1s)-indan-1-yl]amino]-5h-pyrrolo[2,3-d]pyrimidin-7-ium-1,4,5-triid-7-yl]-2-(blahoxymethyl)cyclopentanol
Molecular Mass 447.551 g·mol−1
Heat of Formation -426.3 ± 16.7 kJ·mol−1
Dipole Moment 7.56 ± 1.08 D
Volume 498.01 Å 3
Surface Area 429.88 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy 2.68 ± eV
Point Group Symmetry C1
InChIKey XELZDROMKIYYAM-QXGSTGNESA-O
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