[5-{(E)-[3-(Carboxymethyl)-1-Methyl-2,4,6-Trioxodihydro-5(2H,4H)-Pyrimidinylidene]Amino}-3-Methyl-2,4,6-Trioxotetrahydro-1(2H)-Pyrimidinyl]Acetic Acid

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Properties Simple | Detailed

Formula C14H13N5O10
IUPAC Name 2-[(5r)-5-[(e)-[1-(carboxymethyl)-3-methyl-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]amino]-3-methyl-2,4,6-trioxo-hexahydropyrimidin-1-yl]acetic acid
Molecular Mass 411.281 g·mol−1
Heat of Formation -1565.9 ± 16.7 kJ·mol−1
Dipole Moment 4.16 ± 1.08 D
Volume 417.87 Å 3
Surface Area 361.85 Å 2
HOMO Energy -10.71 ± 0.55 eV
LUMO Energy -1.92 ± eV
Point Group Symmetry C1
InChIKey PLNXXHPIACXIGG-ADGUBKQUSA-N
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