N-(2-Hydroxyethyl)Maleopimarimidyl Morpholide

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Properties Simple | Detailed

Formula C30H40N2O5
IUPAC Name n-(2-hydroxyethyl)maleopimarimidyl morpholide
Molecular Mass 508.649 g·mol−1
Heat of Formation -1048.7 ± 16.7 kJ·mol−1
Dipole Moment 4.73 ± 1.08 D
Volume 623.07 Å 3
Surface Area 451.6 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 3.06 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(((3ar,3bs,5ar,6r,9ar,9br,11r,11ar)-1,2,3,3a,4,5,5a,6,7,8,9,9a,9b,10,11,11a-hexadecahydro-2-(2-hydroxyethyl)-12-isopropyl-6,9a-dimethyl-1,3-dioxo-3b,11-etheno-3bh-naphth(2,1-e)isoindol-6-yl)carbonyl)morpholine
  • ivarimod
  • morpholine, 4-((1,2,3,3a,4,5,5a,6,7,8,9,9a,9b,10,11,11a-hexadecahydro-2-(2-hydroxyethyl)-6,9a-dimethyl-12-(1-methylethyl)-1,3-dioxo-3b,11-etheno-3bh-naphth(2,1-e)isoindol-6-yl)carbonyl)-, (3ar-(3a-alpha,3b-beta,5a-alpha,6-alpha,9a-beta,9b-alpha,11-beta,11a-alpha))-
  • n-(2-hydroxyethyl)-maleopimarimidyl morpholide
  • ru 18492
  • ru-18492
CAS Number(s)
  • 53003-81-9
  • 61949-09-5
  • 62560-83-2
InChIKey YBWSFBMTGQZOMO-JKMJZXPOSA-N
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