[(5R,6S,7R,8R)-5-(13-Amino-18-Methyl-Blahtricyclo[Blah.Blah.Blah.Blah]Dodeca-2(10),3(16),3(17),11(16),12(17),13(15)-Hexaen-19-Yl)-3,4-Dihydroxy-Tetrahydrofuran-5-Yl]Methyl Dihydrogen Phosphate

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Formula C13H18N6O7P
IUPAC Name [(5r,6s,7r,8r)-5-(13-amino-18-methyl-blahtricyclo[blah.blah.blah.blah]dodeca-2(10),3(16),3(17),11(16),12(17),13(15)-hexaen-19-yl)-3,4-dihydroxy-tetrahydrofuran-5-yl]methyl dihydrogen phosphate
Molecular Mass 401.292 g·mol−1
Heat of Formation -1128.1 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 410.01 Å 3
Surface Area 363.98 Å 2
HOMO Energy -8.04 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
InChIKey JJADRRIVVFUDPA-JZUDVJCUSA-P
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