1-Methyladenosine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C11H22N5O7P
IUPAC Name [(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-imino-1-methyl-2,8-dihydropurine-2,3,4,5,7,8-hexaid-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 367.295 g·mol−1
Heat of Formation -1247.8 ± 16.7 kJ·mol−1
Dipole Moment 9.40 ± 1.08 D
Volume 372.41 Å 3
Surface Area 319.93 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 2.29 ± eV
Point Group Symmetry C1
InChIKey BKBYKEWNXKDACS-JOLDIKRXSA-N
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