4-{(3R,4S)-4-[4-(Phosphonooxy)Phenyl]-3-Hexanyl}Phenyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C18H24O8P2
IUPAC Name [4-[(1r,2r)-1-ethyl-2-(4-phosphonooxyphenyl)butyl]phenyl] dihydrogen phosphate
Molecular Mass 430.326 g·mol−1
Heat of Formation -2016.0 ± 16.7 kJ·mol−1
Dipole Moment 0.38 ± 1.08 D
Volume 490.55 Å 3
Surface Area 396.53 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C2
InChIKey JBDIWCWZUDNWTL-ROUUACIJSA-N
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