2-{Methyl[(3E,7E)-4,8,12-Trimethyl-3,7,11-Tridecatrien-1-Yl]Amino}Ethyl Trihydrogen Diphosphate

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Properties Simple | Detailed

Formula C19H37NO7P2
IUPAC Name 2-[methyl-[(3e,7e)-4,8,12-trimethyltrideca-3,7,11-trienyl]amino]ethyl phosphono hydrogen phosphate
Molecular Mass 453.447 g·mol−1
Heat of Formation -2040.8 ± 16.7 kJ·mol−1
Dipole Moment 5.59 ± 1.08 D
Volume 562.5 Å 3
Surface Area 397.64 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[methyl-(5-geranyl-4-methyl-pent-3-enyl)-amino]-ethyl-diphosphate
  • 2-[methyl-[(3e,7e)-4,8,12-trimethyltrideca-3,7,11-trienyl]amino]ethyl phosphono hydrogen phosphate
  • 3-aza-geranylgeranyl diphosphoric acid
  • 3-aza-geranylgeranyl pyrophosphoric acid
  • diphosphoric acid, mono[2-[methyl(4,8,12-trimethyl-3,7,11-tridecatrienyl)amino]ethyl] ester, (e,e)-
  • diphosphoric acid, mono[2-[methyl[(3e,7e)-4,8,12-trimethyl-3,7,11-tridecatrienyl]amino]ethyl] ester (9ci)
  • mgm
CAS Number(s)
  • 150942-60-2
InChIKey OEMBPHBKZPOPBN-NWLVNBMCSA-N
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