4-Amino-8-(Butylamino)-5-Hydroxy-2,7-Dimethyl-8-Oxooctyl 1-Benzyl-1H-Indole-3-Carboxylate

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Properties Simple | Detailed

Formula C30H41N3O4
IUPAC Name [(2s,4s,5r,7r)-4-amino-8-(butylamino)-5-hydroxy-2,7-dimethyl-8-oxo-octyl] 1-benzyl-2h-indol-1-ium-2-ylium-3-carboxylate
Molecular Mass 507.664 g·mol−1
Heat of Formation -669.0 ± 16.7 kJ·mol−1
Dipole Moment 2.79 ± 1.08 D
Volume 658.84 Å 3
Surface Area 567.75 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 2.66 ± eV
Point Group Symmetry C1
InChIKey XZLFXZZCYRJLTI-PGVSFRRCSA-N
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