[(2S,3Ar,4R,5'R,6R,6Ar)-4-(2,4-Dioxopyrimidin-1-Yl)-1',3',5'-Trinitro-Spiro[3A,4,6,6A-Tetrahydrofuro[3,4-D][1,3]Dioxole-2,6'-Cyclohexa-1,3-Diene]-6-Yl]Methyl Dihydrogen Phosphate

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Formula C15H14N5O15P
IUPAC Name [(2s,3ar,4r,5'r,6r,6ar)-4-(2,4-dioxopyrimidin-1-yl)-1',3',5'-trinitro-spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methyl dihydrogen phosphate
Molecular Mass 535.270 g·mol−1
Heat of Formation -1713.6 ± 16.7 kJ·mol−1
Dipole Moment 3.18 ± 1.08 D
Volume 508.51 Å 3
Surface Area 413.32 Å 2
HOMO Energy -10.34 ± 0.55 eV
LUMO Energy -2.98 ± eV
Point Group Symmetry C1
InChIKey SRMJTCHMEVXNDA-VWJDAWKZSA-P
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