[(2R,3S,4S)-2,3,4-Trihydroxy-5-(7-Methyl-2,4-Dioxo-8-Thioxo-1H-Benzo[G]Pteridin-5-Ium-10A-Id-10-Yl)Pentyl] Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C16H20N4O9PS
IUPAC Name [(2r,3s,4s)-2,3,4-trihydroxy-5-(7-methyl-2,4-dioxo-8-thioxo-1h-benzo[g]pteridin-5-ium-10a-id-10-yl)pentyl] dihydrogen phosphate
Molecular Mass 475.390 g·mol−1
Heat of Formation -1649.5 ± 16.7 kJ·mol−1
Dipole Moment 8.95 ± 1.08 D
Volume 485.98 Å 3
Surface Area 420.59 Å 2
HOMO Energy -8.14 ± 0.55 eV
LUMO Energy -1.98 ± eV
Point Group Symmetry C1
InChIKey NPRBQCRRZOSZTE-FQAYMLQASA-Q
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