1-O-Phosphono-D-Iditol

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Properties Simple | Detailed

Formula C6H15O9P
IUPAC Name [(2r,3s,4s,5r)-2,3,4,5,6-pentahydroxyhexyl] dihydrogen phosphate
Molecular Mass 262.152 g·mol−1
Heat of Formation -2056.8 ± 16.7 kJ·mol−1
Dipole Moment 6.20 ± 1.08 D
Volume 277.13 Å 3
Surface Area 243.88 Å 2
HOMO Energy -10.27 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
InChIKey GACTWZZMVMUKNG-ZXXMMSQZSA-N
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