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

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Properties Simple | Detailed

Formula C12H9N5O10
IUPAC Name 2-[(5s)-5-[(e)-[1-(carboxymethyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]amino]-2,4,6-trioxo-hexahydropyrimidin-1-yl]acetic acid
Molecular Mass 383.227 g·mol−1
Heat of Formation -1564.7 ± 16.7 kJ·mol−1
Dipole Moment 2.96 ± 1.08 D
Volume 374.1 Å 3
Surface Area 328.94 Å 2
HOMO Energy -11.00 ± 0.55 eV
LUMO Energy -2.11 ± eV
Point Group Symmetry C1
InChIKey KQMNFORLTALWHP-LQUGBXFWSA-N
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