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

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Properties Simple | Detailed

Formula C10H14N5O6PS2
IUPAC Name [(5ar,8s,9ar)-2-amino-4-oxo-6,7-bis(sulfanyl)-1,5,5a,8,9a,10-hexahydropyrano[3,2-g]pteridin-8-yl]methyl dihydrogen phosphate
Molecular Mass 395.352 g·mol−1
Heat of Formation 410.7 ± 16.7 kJ·mol−1
Dipole Moment 8.35 ± 1.08 D
Volume 347.61 Å 3
Surface Area 319.47 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy -4.50 ± eV
Point Group Symmetry C1
InChIKey HPEUEJRPDGMIMY-IRSOXCHHSA-K
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