(7S)-2-Amino-7-[4-[(7S)-2-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-6-Oxo-3,8-Dihydropurin-1-Ium-8-Id-7-Yl]Butyl]-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-3,8-Dihydropurin-1-Ium-8-Id-6-One

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Formula C24H38N10O10++
IUPAC Name (7s)-2-amino-7-[4-[(7s)-2-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-oxo-3,8-dihydropurin-1-ium-8-id-7-yl]butyl]-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3,8-dihydropurin-1-ium-8-id-6-one
Molecular Mass 626.620 g·mol−1
Heat of Formation -1177.7 ± 16.7 kJ·mol−1
Dipole Moment 8.23 ± 1.08 D
Volume 659.26 Å 3
Surface Area 429.98 Å 2
HOMO Energy -5.05 ± 0.55 eV
LUMO Energy -1.73 ± eV
Point Group Symmetry C1
InChIKey JXXFRDLOMGHKQP-IQMWXLPRSA-R
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