(2S)-6-[(4-Azido-2-Hydroxy-5-Iodo-Benzoyl)Amino]-2-[[4-[(2,4-Diaminopteridine-1,3,5,8-Tetraium-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]Hexanoic Acid

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Properties Simple | Detailed

Formula C28H30IN12O5
IUPAC Name (2s)-6-[(4-azido-2-hydroxy-5-iodo-benzoyl)amino]-2-[[4-[(2,4-diaminopteridine-1,3,5,8-tetraium-6-yl)methyl-methyl-amino]benzoyl]amino]hexanoic acid
Molecular Mass 741.520 g·mol−1
Heat of Formation -161.9 ± 16.7 kJ·mol−1
Dipole Moment 5.27 ± 1.08 D
Volume 737.47 Å 3
Surface Area 518.92 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
InChIKey WVBGKHKEVUVOOZ-IBGZPJMESA-N
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