N-{4-[2-(2,4-Diamino-6-Pteridinyl)Propyl]Benzoyl}Glutamic Acid

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Properties Simple | Detailed

Formula C21H23N7O5
IUPAC Name (2s)-2-[[4-[(2r)-2-(2,4-diaminopteridin-6-yl)propyl]benzoyl]amino]pentanedioic acid
Molecular Mass 453.451 g·mol−1
Heat of Formation -681.6 ± 16.7 kJ·mol−1
Dipole Moment 7.37 ± 1.08 D
Volume 519.85 Å 3
Surface Area 391.63 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -1.11 ± eV
Point Group Symmetry C1
InChIKey SEJWECNFKLVVFC-MFKMUULPSA-N
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