(3S,6S,9S,12S,15S,18S)-15-Benzyl-9-[(1R)-1-Hydroxyethyl]-6-(Hydroxymethyl)-12,18-Diisobutyl-3-Isopropyl-13-Methyl-1,4-Dioxa-7,10,13,16-Tetraazacyclooctadecane-2,5,8,11,14,17-Hexone

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Formula C34H52N4O10
IUPAC Name (3s,6s,9s,12s,15s,18s)-15-benzyl-9-[(1r)-1-hydroxyethyl]-6-(hydroxymethyl)-12,18-diisobutyl-3-isopropyl-13-methyl-1,4-dioxa-7,10,13,16-tetrazacyclooctadecane-2,5,8,11,14,17-hexone
Molecular Mass 676.797 g·mol−1
Heat of Formation -1993.9 ± 16.7 kJ·mol−1
Dipole Moment 5.88 ± 1.08 D
Volume 853.43 Å 3
Surface Area 574.97 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,6s,9s,12s,15s,18s)-15-(benzyl)-9-(1-hydroxyethyl)-12,18-diisobutyl-3-isopropyl-13-methyl-6-methylol-1,4-dioxa-7,10,13,16-tetrazacyclooctadecane-2,5,8,11,14,17-triquinone
  • (3s,6s,9s,12s,15s,18s)-9-(1-hydroxyethyl)-6-(hydroxymethyl)-12,18-diisobutyl-3-isopropyl-13-methyl-15-(phenylmethyl)-1,4-dioxa-7,10,13,16-tetrazacyclooctadecane-2,5,8,11,14,17-hexone
  • (3s,6s,9s,12s,15s,18s)-9-(1-hydroxyethyl)-6-(hydroxymethyl)-13-methyl-12,18-bis(2-methylpropyl)-15-(phenylmethyl)-3-propan-2-yl-1,4-dioxa-7,10,13,16-tetrazacyclooctadecane-2,5,8,11,14,17-hexone
InChIKey IKUBGKAJYBJGOR-CVSBKWFLSA-N
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