N-(4-{[(2,4-Diamino-6-Oxo-1,6-Dihydro-5-Pyrimidinyl)Carbamoyl]Amino}Benzoyl)-L-Glutamic Acid

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Properties Simple | Detailed

Formula C17H19N7O7+
IUPAC Name (2s)-2-[[4-[(2,4-diamino-6-oxo-pyrimidin-1-ium-5-ylium-5-yl)carbamoylamino]benzoyl]amino]pentanedioic acid
Molecular Mass 433.375 g·mol−1
Heat of Formation -1127.0 ± 16.7 kJ·mol−1
Dipole Moment 5.34 ± 1.08 D
Volume 472.56 Å 3
Surface Area 427.37 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
InChIKey WBQDVZMETQWVQD-VIFPVBQESA-N
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