Pf1163A

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Properties Simple | Detailed

Formula C27H43NO6
IUPAC Name (3s,10r,13s)-3-[[4-(2-hydroxyethoxy)phenyl]methyl]-13-[(2s)-2-hydroxypentyl]-4,10-dimethyl-1-oxa-4-azacyclotridecane-2,5-dione
Molecular Mass 477.633 g·mol−1
Heat of Formation -1299.6 ± 16.7 kJ·mol−1
Dipole Moment 2.61 ± 1.08 D
Volume 608.5 Å 3
Surface Area 434.6 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,10r,13s)-3-[4-(2-hydroxyethoxy)benzyl]-13-[(2s)-2-hydroxypentyl]-4,10-dimethyl-1-oxa-4-azacyclotridecane-2,5-quinone
  • (3s,10r,13s)-3-[[4-(2-hydroxyethoxy)phenyl]methyl]-13-[(2s)-2-hydroxypentyl]-4,10-dimethyl-1-oxa-4-azacyclotridecane-2,5-dione
  • 6-((2s)-2-hydroxypentyl)(3s,9r)-2-aza-3-{[4-(2-hydroxyethoxy)phenyl]methyl}-2,9-dimethyl-5-oxacyclotridecane-1,4-dione
InChIKey SDBGPLZSWIQIOV-VQPAQMSKSA-N
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