N-[9-[(2S,4Ar,6R,7R,7As)-2,7-Dihydroxy-2-Oxo-4A,6,7,7A-Tetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-6-Yl]Purine-1,3,7-Triium-6-Yl]Benzamide

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Formula C17H16N5O7P
IUPAC Name n-[9-[(2s,4ar,6r,7r,7as)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]purine-1,3,7-triium-6-yl]benzamide
Molecular Mass 433.312 g·mol−1
Heat of Formation -1020.0 ± 16.7 kJ·mol−1
Dipole Moment 5.49 ± 1.08 D
Volume 442.25 Å 3
Surface Area 392.09 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
InChIKey YIIPVCNCCVGXKV-CNEMSGBDSA-O
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