Hexyl (15S,16R,18R)-16-Hydroxy-15-Methyl-3-Oxo-28-Oxa-4,14,19-Triazaoctacyclo[12.11.2.1~15,18~.0~2,6~.0~7,27~.0~8,13~.0~19,26~.0~20,25~]Octacosa-1,6,8,10,12,20,22,24,26-Nonaene-16-Carboxylate

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Formula C32H31N3O5
IUPAC Name hexyl (15s,16r,18r)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1 15,18 .0 2,6 .0 7,27 .0 8,13 .0 19,26 .0 20,25 ]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate
Molecular Mass 537.606 g·mol−1
Heat of Formation -563.0 ± 16.7 kJ·mol−1
Dipole Moment 6.30 ± 1.08 D
Volume 619.95 Å 3
Surface Area 479.95 Å 2
HOMO Energy -8.00 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
InChIKey ZHEHVZXPFVXKEY-MWOZDUBJSA-N
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