[[(2R,3S,4S)-5-[(4As,10S,10Ar)-7,8-Dimethyl-2,4-Dioxo-1,4A,5,10A-Tetrahydrobenzo[G]Pteridin-10-Yl]-2,3,4-Trihydroxy-Pentoxy]-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate

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Formula C27H37N9O15P2
IUPAC Name [[(2r,3s,4s)-5-[(4as,10s,10ar)-7,8-dimethyl-2,4-dioxo-1,4a,5,10a-tetrahydrobenzo[g]pteridin-10-yl]-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 789.582 g·mol−1
Heat of Formation -3013.9 ± 16.7 kJ·mol−1
Dipole Moment 11.17 ± 1.08 D
Volume 806.25 Å 3
Surface Area 652.44 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
InChIKey YYBAYPADXFQJRM-AWYOOINRSA-O
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