2-Amino-9-(2-Deoxy-5-O-Phosphonopentofuranosyl)-7-(9-Hydroxy-4-Methoxy-1,11-Dioxo-1,2,3,6A,8,9,9A,11-Octahydrocyclopenta[C]Furo[3',2':4,5]Furo[2,3-H]Chromen-8-Yl)-6-Oxo-6,7-Dihydro-3H-Purin-9-Ium

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Properties Simple | Detailed

Formula C27H15N5O14P
IUPAC Name 2-amino-9-(2-deoxy-5-o-phosphonopentofuranosyl)-7-(9-hydroxy-4-methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-8-yl)-6-oxo-6,7-dihydro-3h-purin-9-ium
Molecular Mass 664.407 g·mol−1
Heat of Formation 1118.5 ± 16.7 kJ·mol−1
Dipole Moment 6.11 ± 1.08 D
Volume 637.05 Å 3
Surface Area 524.89 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -4.11 ± eV
Point Group Symmetry C1
InChIKey OBYKYKOLZOZQPE-DBZRNYRJSA-O
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