6-Amino-9-(5-O-Phosphonopentofuranosyl)-7H-Purin-9-Ium

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Properties Simple | Detailed

Formula C10H15N5O7P+
IUPAC Name [(2r,3s,4r,5r)-5-(6-amino-7,8-dihydropurine-1,3-diium-5,8-diid-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 348.229 g·mol−1
Heat of Formation 171.7 ± 16.7 kJ·mol−1
Dipole Moment 6.61 ± 1.08 D
Volume 330.85 Å 3
Surface Area 298.64 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -3.02 ± eV
Point Group Symmetry C1
InChIKey UBYZUTJNKIGNJS-UHTZMRCNSA-O
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