6-O-[(2R,3R,23Z,33Z)-3-Hydroxy-2-Octyl-23,33-Dopentacontadienoyl]-α-L-Idopyranose

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Properties Simple | Detailed

Formula C66H126O8
IUPAC Name [(2s,3s,4s,5r,6r)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methyl (2r,3r,23z,33z)-3-hydroxy-2-octyl-dopentaconta-23,33-dienoate
Molecular Mass 1047.702 g·mol−1
Heat of Formation -2592.2 ± 16.7 kJ·mol−1
Dipole Moment 3.93 ± 1.08 D
Volume 1502.84 Å 3
Surface Area 1298.43 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy 0.28 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,23z,33z)-3-hydroxy-2-octyl-dopentaconta-23,33-dienoic acid [(2s,3s,4s,5r,6r)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methyl ester
  • (2r,3r,23z,33z)-3-hydroxy-2-octyldopentaconta-23,33-dienoic acid [(2s,3s,4s,5r,6r)-3,4,5,6-tetrahydroxy-2-tetrahydropyranyl]methyl ester
  • [(2s,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl (2r,3r,23z,33z)-3-hydroxy-2-octyl-dopentaconta-23,33-dienoate
  • [(2s,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl (2r,3r,23z,33z)-3-hydroxy-2-octyldopentaconta-23,33-dienoate
  • [(2s,3s,4s,5r,6r)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methyl (2r,3r,23z,33z)-3-hydroxy-2-octyl-dopentaconta-23,33-dienoate
InChIKey BVARSKHQNMUXIB-WOUBZNJSSA-N
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