(3E)-20-Hydroxy-3,4-Didehydro-1',2'-Dihydro-Psi,Psi-Caroten-1'-Yl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C46H66O7
IUPAC Name (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[(5e,7e,9e,11e,13e,15e,17z,19e,21e,23e,25e,27e)-18-(hydroxymethyl)-1,1,5,9,13,22,26,30-octamethyl-hentriaconta-5,7,9,11,13,15,17,19,21,23,25,27,29-tridecaenoxy]tetrahydropyran-3,4,5-triol
Molecular Mass 731.012 g·mol−1
Heat of Formation -979.4 ± 16.7 kJ·mol−1
Dipole Moment 2.89 ± 1.08 D
Volume 981.58 Å 3
Surface Area 875.43 Å 2
HOMO Energy -7.87 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[(5e,7e,9e,11e,13e,15e,17z,19e,21e,23e,25e,27e)-18-(hydroxymethyl)-1,1,5,9,13,22,26,30-octamethyl-hentriaconta-5,7,9,11,13,15,17,19,21,23,25,27,29-tridecaenoxy]tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[(5e,7e,9e,11e,13e,15e,17z,19e,21e,23e,25e,27e)-18-(hydroxymethyl)-1,1,5,9,13,22,26,30-octamethylhentriaconta-5,7,9,11,13,15,17,19,21,23,25,27,29-tridecaenoxy]tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[(6e,8e,10e,12e,14e,16e,18z,20e,22e,24e,26e,28e)-19-(hydroxymethyl)-2,6,10,14,23,27,31-heptamethyl-dotriaconta-6,8,10,12,14,16,18,20,22,24,26,28,30-tridecaen-2-yl]oxy-oxane-3,4,5-triol
  • (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[(6e,8e,10e,12e,14e,16e,18z,20e,22e,24e,26e,28e)-19-(hydroxymethyl)-2,6,10,14,23,27,31-heptamethyldotriaconta-6,8,10,12,14,16,18,20,22,24,26,28,30-tridecaen-2-yl]oxyoxane-3,4,5-triol
  • (2r,3s,4s,5r,6s)-2-methylol-6-[(5e,7e,9e,11e,13e,15e,17z,19e,21e,23e,25e,27e)-1,1,5,9,13,22,26,30-octamethyl-18-methylol-hentriaconta-5,7,9,11,13,15,17,19,21,23,25,27,29-tridecaenoxy]tetrahydropyran-3,4,5-triol
  • rhodopinal glucoside
  • rpa
InChIKey KKQLCQBTEUVHBX-NLSFUMMDSA-N
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