[[(2R,3S,4S)-5-[(Acetylcarbamoylamino)Methyl-[(3S,4R)-6-Amino-3,4-Dimethyl-Hexyl]Amino]-2,3,4-Trihydroxy-Pentoxy]-Hydroxy-Phosphoryl] [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Ium-5-Ylium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate

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Formula C27H49N9O15P2
IUPAC Name [[(2r,3s,4s)-5-[(acetylcarbamoylamino)methyl-[(3s,4r)-6-amino-3,4-dimethyl-hexyl]amino]-2,3,4-trihydroxy-pentoxy]-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 801.677 g·mol−1
Heat of Formation -3286.3 ± 16.7 kJ·mol−1
Dipole Moment 4.85 ± 1.08 D
Volume 885.84 Å 3
Surface Area 688.44 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -1.45 ± eV
Point Group Symmetry C1
InChIKey GXAQOPQBDYJNIO-CCGDWWFSSA-N
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