(2R)-2-[[4-[2-(2-Amino-4-Oxo-1H-Pyrrolo[2,3-D]Pyrimidine-3,7-Diium-5-Id-5-Yl)Ethyl]Benzoyl]Amino]Pentanedioic Acid

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Properties Simple | Detailed

Formula C20H21N5O6
IUPAC Name (2r)-2-[[4-[2-(2-amino-4-oxo-1h-pyrrolo[2,3-d]pyrimidine-3,7-diium-5-id-5-yl)ethyl]benzoyl]amino]pentanedioic acid
Molecular Mass 427.411 g·mol−1
Heat of Formation -949.1 ± 16.7 kJ·mol−1
Dipole Moment 8.29 ± 1.08 D
Volume 482.88 Å 3
Surface Area 361.35 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.11 ± eV
Point Group Symmetry C1
InChIKey GMUBVQYOVPTOHL-CYBMUJFWSA-P
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