(3E)-3,4-Bis[(2-Amino-2-Oxoethyl)Sulfanyl]-4-(2-Amino-4-Oxo-1,4,5,6,7,8-Hexahydro-6-Pteridinyl)-2-Hydroxy-3-Buten-1-Yl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C14H23N7O8PS2+
IUPAC Name [(e,2s)-3,4-bis[(2-amino-2-oxo-ethyl)sulfanyl]-4-[(6s)-2-amino-4-oxo-5,6,7,8-tetrahydropteridin-1-ium-3-id-6-yl]-2-hydroxy-but-3-enyl] dihydrogen phosphate
Molecular Mass 512.478 g·mol−1
Heat of Formation -1500.0 ± 16.7 kJ·mol−1
Dipole Moment 6.46 ± 1.08 D
Volume 541.52 Å 3
Surface Area 439.01 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
InChIKey BZZHCWODYYTYSS-YKWQBGBKSA-N
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