(5S)-3-{(2R,13R)-2,13-Dihydroxy-13-[(2R)-5-Oxotetrahydro-2-Furanyl]Tridecyl}-5-Methyl-2(5H)-Furanone

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Properties Simple | Detailed

Formula C22H36O6
IUPAC Name (2s)-4-[(2r,13r)-2,13-dihydroxy-13-[(2r)-5-oxotetrahydrofuran-2-yl]tridecyl]-2-methyl-2h-furan-5-one
Molecular Mass 396.518 g·mol−1
Heat of Formation -1259.7 ± 16.7 kJ·mol−1
Dipole Moment 5.98 ± 1.08 D
Volume 513.21 Å 3
Surface Area 474.04 Å 2
HOMO Energy -10.42 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • (5s)-3-[(2r,13r)-2,13-dihydroxy-13-[(2r)-5-ketotetrahydrofuran-2-yl]tridecyl]-5-methyl-5h-furan-2-one
  • (5s)-3-[(2r,13r)-2,13-dihydroxy-13-[(2r)-5-oxo-2-tetrahydrofuranyl]tridecyl]-5-methyl-5h-furan-2-one
  • (5s)-3-[(2r,13r)-2,13-dihydroxy-13-[(2r)-5-oxooxolan-2-yl]tridecyl]-5-methyl-5h-furan-2-one
  • (5s)-3-[(2r,13r)-2,13-dihydroxy-13-[(2r)-5-oxotetrahydrofuran-2-yl]tridecyl]-5-methyl-5h-furan-2-one
InChIKey QCRUDDMRGHFGNR-MTFMMBMASA-N
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