(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21R,23R,25R,26R,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42S,43R,44S,45R,46S,47R,48S,49R)-5,15,20,25,30,35-Hexakis(Hydroxymethyl)-40,42,43,45,47,49-Hexamethoxy-10-(Methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-Tetradecaoxaoctacyclo[31.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~]Nonatetracontane-36,37,38,39,41,44,46,48-Octol (Non-Preferred Name)

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Formula C49H84O35
IUPAC Name (1s,3r,5r,6s,8r,10r,11s,13r,15r,16s,18r,20r,21r,23r,25r,26r,28r,30r,31s,33r,35r,36r,37r,38r,39r,40r,41r,42s,43r,44s,45r,46s,47r,48s,49r)-5,15,20,25,30,35-hexakis(hydroxymethyl)-40,42,43,45,47,49-hexamethoxy-10-(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2 3,6 .2 8,11 .2 13,16 .2 18,21 .2 23,26 .2 28,31 ]nonatetracontane-36,37,38,39,41,44,46,48-octol (non-preferred name)
Molecular Mass 1233.170 g·mol−1
Heat of Formation -6444.6 ± 16.7 kJ·mol−1
Dipole Moment 10.87 ± 1.08 D
Volume 1350.23 Å 3
Surface Area 917.44 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy 0.69 ± eV
Point Group Symmetry C1
Synonyms
  • h
  • k
  • q
InChIKey GWQZGLPMECXEIW-BHDJXRNPSA-N
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Elements H C O