(2-Amino-4-Oxo-6,7-Disulfido-1,5,5A,8,9A,10-Hexahydro-4H-Pyrano[3,2-G]Pteridin-8-Yl)Methyl Hydrogen Phosphate

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Formula C10H15N5O6PS2+
IUPAC Name [(5as,8s,9as)-2-amino-4-oxo-6,7-bis(sulfanyl)-5a,8,9a,10-tetrahydro-5h-pyrano[3,2-g]pteridin-1-ium-3-id-8-yl]methyl dihydrogen phosphate
Molecular Mass 396.360 g·mol−1
Heat of Formation -1081.0 ± 16.7 kJ·mol−1
Dipole Moment 8.61 ± 1.08 D
Volume 391.74 Å 3
Surface Area 328.44 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
InChIKey HPEUEJRPDGMIMY-QRZNPKQDSA-N
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