(2S)-2-Amino-5-[[(2R)-2-Amino-3-[(2-Amino-6-Oxo-3H-Purine-1,9-Diium-5-Id-7-Yl)Sulfanyl]Propanoyl]-(Carboxymethyl)Amino]-5-Oxo-Pentanoic Acid

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Properties Simple | Detailed

Formula C15H21N8O7S
IUPAC Name (2s)-2-amino-5-[[(2r)-2-amino-3-[(2-amino-6-oxo-3h-purine-1,9-diium-5-id-7-yl)sulfanyl]propanoyl]-(carboxymethyl)amino]-5-oxo-pentanoic acid
Molecular Mass 457.442 g·mol−1
Heat of Formation -993.0 ± 16.7 kJ·mol−1
Dipole Moment 7.59 ± 1.08 D
Volume 494.07 Å 3
Surface Area 402.43 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
InChIKey RUEIVSZLDMHUAP-WCEJAVLKSA-O
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