{(1R,2R,3R)-2-[(3E)-4,8-Dimethyl-3,7-Nonadien-1-Yl]-2-Methyl-3-[(1E,5E)-2,6,10-Trimethyl-1,5,9-Undecatrien-1-Yl]Cyclopropyl}Methyl Trihydrogen Diphosphate

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Properties Simple | Detailed

Formula C30H52O7P2
IUPAC Name [(1r,2r,3r)-2-[(3e)-4,8-dimethylnona-3,7-dienyl]-2-methyl-3-[(1e,5e)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropyl]methyl phosphono hydrogen phosphate
Molecular Mass 586.677 g·mol−1
Heat of Formation -2039.6 ± 16.7 kJ·mol−1
Dipole Moment 4.39 ± 1.08 D
Volume 775.13 Å 3
Surface Area 561.93 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r,2r,3r)-2-(4,8-dimethylnona-3,7-dienyl)-2-methyl-3-(2,6,10-trimethylundeca-1,5,9-trienyl)cyclopropyl]methyl phosphono hydrogen phosphate
  • [(1r,2r,3r)-2-[(3e)-4,8-dimethylnona-3,7-dienyl]-2-methyl-3-[(1e,5e)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropyl]methyl phosphono hydrogen phosphate
  • diphosphoric acid, mono((2-(4,8-dimethyl-3,7-nonadienyl)-2-methyl-3-(2,6,10-trimethyl-1,5,9-undecatrienyl)cyclopropyl)methyl) ester, (1alpha,2beta(e),3beta(1e,5e))-
  • presqualene diphosphate
  • presqualene pyrophosphate
CAS Number(s)
  • 27150-18-1
  • 29849-75-0
  • 30516-84-8
  • 22477-86-7
InChIKey ATZKAUGGNMSCCY-VVFNRDJMSA-N
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