(4S,4'R,5R)-2,2,2',2'-Tetramethyl-5-[(1R,2R)-2-Nitrocyclopropyl]-4,4'-Bi-1,3-Dioxolane

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Properties Simple | Detailed

Formula C13H21NO6
IUPAC Name (4s,5r)-4-[(4r)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-[(1r,2r)-2-nitrocyclopropyl]-1,3-dioxolane
Molecular Mass 287.309 g·mol−1
Heat of Formation -782.3 ± 16.7 kJ·mol−1
Dipole Moment 4.48 ± 1.08 D
Volume 343.63 Å 3
Surface Area 293.8 Å 2
HOMO Energy -10.20 ± 0.55 eV
LUMO Energy 2.80 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,5r)-4-[(4r)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-[(1r,2r)-2-nitrocyclopropyl]-1,3-dioxolane
  • 1,2-dideoxy-3,4,5,6-di-o-isopropylidene-1,2-c-methylene-1-nitromannitol
  • dipmnm
CAS Number(s)
  • 110085-92-2
InChIKey KLLYNDAIAVVQIS-ISUQUUIWSA-N
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