(2R)-3-[(Tetrahydroxyphosphoranyl)Oxy]-1,2-Propanediyl Dibutanoate

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Properties Simple | Detailed

Formula C11H23O9P
IUPAC Name [(2r)-2-butanoyloxy-3-(tetrahydroxy-λ5-phosphanyl)oxy-propyl] butanoate
Molecular Mass 330.269 g·mol−1
Heat of Formation -2056.0 ± 16.7 kJ·mol−1
Dipole Moment 2.81 ± 1.08 D
Volume 377.86 Å 3
Surface Area 341.33 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(butyryloxy)-1-{[(tetrahydroxyphosphoranyl)oxy]methyl}ethyl butyrate
  • [(1r)-1-(butanoyloxymethyl)-2-tetrahydroxyphosphoranyloxy-ethyl] butanoate
  • [(2r)-1-butanoyloxy-3-tetrahydroxyphosphoranyloxy-propan-2-yl] butanoate
  • [(2r)-1-butanoyloxy-3-tetrahydroxyphosphoranyloxypropan-2-yl] butanoate
  • butanoic acid [(1r)-1-(1-oxobutoxymethyl)-2-tetrahydroxyphosphoranyloxyethyl] ester
  • butyric acid [(1r)-1-(butyryloxymethyl)-2-tetrahydroxyphosphoranyloxy-ethyl] ester
  • hi5
InChIKey YBSWGBVCGAZBHG-SECBINFHSA-N
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