(2R,3R,4S,5R,13R,14S,15R,16R)-3,4,8,10,14,15-Hexahydroxy-7,9,11,25,26-Pentaoxa-1,17,19,22-Tetraaza-8,10-Diphosphapentacyclo[18.3.1.1~2,5~.1~13,16~.0~17,21~]Hexacosa-18,20,22-Trien-24-One 8,10-Dioxide

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Properties Simple | Detailed

Formula C15H22N4O14P2
IUPAC Name dihydroxy-[3-[(2s)-3-hydroxy-2-[(1r)-2-hydroxy-1-[1-[(e)-2-hydroxyvinyl]-6-oxo-purine-3,7-diium-9-yl]ethoxy]propoxy]dioxaphosphiran-3-ium-3-yl]oxy-(2-oxovinyloxy)phosphonium; hydron; methanol
Molecular Mass 548.333 g·mol−1
Heat of Formation -2205.1 ± 16.7 kJ·mol−1
Dipole Moment 9.53 ± 1.08 D
Volume 571.02 Å 3
Surface Area 437.5 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
InChIKey REBZYOYBILSKBL-ATYUDWGKSA-N
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