2-O-Methyl-1,6-Di-O-Phosphono-D-Mannitol

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Properties Simple | Detailed

Formula C7H18O12P2
IUPAC Name [(2r,3r,4s,5r)-2,3,4-trihydroxy-5-methoxy-6-phosphonooxy-hexyl] dihydrogen phosphate
Molecular Mass 356.158 g·mol−1
Heat of Formation -2858.8 ± 16.7 kJ·mol−1
Dipole Moment 3.82 ± 1.08 D
Volume 361.89 Å 3
Surface Area 327.42 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
InChIKey QXWUAOXRWVSNDB-DBRKOABJSA-N
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