(13S,16As)-13-[(1S)-1-Hydroxypropyl]-1,4,5,6,7,8,9,10,11,13,14,16A-Dodecahydropyrido[2,1-D][1,5,9]Triazacyclotridecin-2(3H)-One

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Formula C17H31N3O2
IUPAC Name (1r,13s,17s)-17-[(1s)-1-hydroxypropyl]-1,5,10-triazabicyclo[11.4.0]heptadec-14-en-11-one
Molecular Mass 309.447 g·mol−1
Heat of Formation -424.3 ± 16.7 kJ·mol−1
Dipole Moment 6.69 ± 1.08 D
Volume 405.06 Å 3
Surface Area 317.09 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 0.85 ± eV
Point Group Symmetry C1
Synonyms
  • (13s,17s)-17-[(1s)-1-hydroxypropyl]-1,5,10-triazabicyclo[11.4.0]heptadec-14-en-11-one
  • palustrine
CAS Number(s)
  • 22324-44-3
InChIKey YBZUGUWOQLUNKD-PMPSAXMXSA-N
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