(2R,3R,4S)-3-Carboperoxy-4-Dodecyl-4-Hydroxy-5-Oxotetrahydro-2-Furancarboxylic Acid

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Properties Simple | Detailed

Formula C18H30O8
IUPAC Name (2r,3r,4s)-3-carbonoperoxoyl-4-dodecyl-4-hydroxy-5-oxo-tetrahydrofuran-2-carboxylic acid
Molecular Mass 374.426 g·mol−1
Heat of Formation -1382.6 ± 16.7 kJ·mol−1
Dipole Moment 3.33 ± 1.08 D
Volume 459.65 Å 3
Surface Area 389.24 Å 2
HOMO Energy -10.77 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s)-3-carbonoperoxoyl-4-dodecyl-4-hydroxy-5-oxo-2-tetrahydrofurancarboxylic acid
  • (2r,3r,4s)-3-carbonoperoxoyl-4-dodecyl-4-hydroxy-5-oxo-oxolane-2-carboxylic acid
  • (2r,3r,4s)-3-carbonoperoxoyl-4-dodecyl-4-hydroxy-5-oxo-tetrahydrofuran-2-carboxylic acid
  • (2r,3r,4s)-3-carbonoperoxoyl-4-dodecyl-4-hydroxy-5-oxooxolane-2-carboxylic acid
  • (2r,3r,4s)-3-carbonoperoxoyl-4-hydroxy-5-keto-4-lauryl-tetrahydrofuran-2-carboxylic acid
  • 2,3-furandicarboxylic acid, 4-dodecyltetrahydro-3,4-dihydroxy-5-oxo-, (2r-(2alpha,3alpha,4beta))-
  • cinatrin c3
CAS Number(s)
  • 136266-37-0
InChIKey DTFXURUKUSESHP-IYOUNJFTSA-N
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