Rhodotoxin

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Properties Simple | Detailed

Formula C22H36O7
IUPAC Name rhodotoxin
Molecular Mass 412.517 g·mol−1
Heat of Formation -1539.6 ± 16.7 kJ·mol−1
Dipole Moment 6.41 ± 1.08 D
Volume 487.7 Å 3
Surface Area 351.28 Å 2
HOMO Energy -9.89 ± 0.55 eV
LUMO Energy 4.22 ± eV
Point Group Symmetry C1
Synonyms
  • (14r)-3beta,5,6beta,10,16-pentahydroxygrayanotoxan-14-yl acetate
  • (3beta,6beta,14r)-grayanotoxane-3,5,6,10,14,16-hexol, 14-acetate
InChIKey NXCYBYJXCJWMRY-VGBBEZPXSA-N
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Elements H C O