(2R)-2-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[4-[2-(2-Amino-4-Oxo-3,7-Dihydropyrrolo[2,3-D]Pyrimidin-1-Ium-4A-Id-5-Yl)Ethyl]Benzoyl]Amino]-4-Carboxy-Butanoyl]Amino]-4-Carboxy-Butanoyl]Amino]-4-Carboxy-Butanoyl]Amino]Pentanedioic Acid

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Properties Simple | Detailed

Formula C35H43N8O15
IUPAC Name (2r)-2-[[(4s)-4-[[(4s)-4-[[(4s)-4-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-1-ium-4a-id-5-yl)ethyl]benzoyl]amino]-4-carboxy-butanoyl]amino]-4-carboxy-butanoyl]amino]-4-carboxy-butanoyl]amino]pentanedioic acid
Molecular Mass 815.760 g·mol−1
Heat of Formation -2707.8 ± 16.7 kJ·mol−1
Dipole Moment 12.80 ± 1.08 D
Volume 937.43 Å 3
Surface Area 777.85 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
InChIKey IPLYSPIGMFMOKA-FNFNAGCVSA-P
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