P(1),P(3)-Bis(5'-Adenosyl) Triphosphate

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Formula C20H27N10O16P3
IUPAC Name [[(2s,3r,4s,5s)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
Molecular Mass 756.407 g·mol−1
Heat of Formation -3267.8 ± 16.7 kJ·mol−1
Dipole Moment 4.37 ± 1.08 D
Volume 742.89 Å 3
Surface Area 494.66 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -1.43 ± eV
Point Group Symmetry C1
InChIKey QCICUPZZLIQAPA-WGIMJHEJSA-N
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