(2S)-2-[[4-[2-(2-Amino-4-Oxo-3,7-Dihydropyrrolo[2,3-D]Pyrimidin-1-Ium-4A-Id-5-Yl)Ethyl]Benzoyl]Amino]-4-(Blahcyclopenta-4,5-Dien-5-Yl)Butanoic Acid

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Properties Simple | Detailed

Formula C20H23N9O4
IUPAC Name (2s)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-1-ium-4a-id-5-yl)ethyl]benzoyl]amino]-4-(blahcyclopenta-4,5-dien-5-yl)butanoic acid
Molecular Mass 453.455 g·mol−1
Heat of Formation -209.6 ± 16.7 kJ·mol−1
Dipole Moment 7.12 ± 1.08 D
Volume 510.54 Å 3
Surface Area 449.76 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
InChIKey MXQYRRJQZLDMGQ-XYZLFDRDSA-P
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