(4R,5S)-4-Hydroxy-5-[(1S,2R,3R)-1,2,3-Trihydroxy-3-Phenylpropyl]Dihydro-2(3H)-Furanone

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Properties Simple | Detailed

Formula C13H16O6
IUPAC Name (4r,5s)-4-hydroxy-5-[(1s,2r,3r)-1,2,3-trihydroxy-3-phenyl-propyl]tetrahydrofuran-2-one
Molecular Mass 268.263 g·mol−1
Heat of Formation -1031.9 ± 16.7 kJ·mol−1
Dipole Moment 3.72 ± 1.08 D
Volume 300.93 Å 3
Surface Area 267.97 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,5s)-4-hydroxy-5-[(1s,2r,3r)-1,2,3-trihydroxy-3-phenyl-propyl]oxolan-2-one
  • (4r,5s)-4-hydroxy-5-[(1s,2r,3r)-1,2,3-trihydroxy-3-phenyl-propyl]tetrahydrofuran-2-one
  • (4r,5s)-4-hydroxy-5-[(1s,2r,3r)-1,2,3-trihydroxy-3-phenylpropyl]-2-tetrahydrofuranone
  • (4r,5s)-4-hydroxy-5-[(1s,2r,3r)-1,2,3-trihydroxy-3-phenylpropyl]oxolan-2-one
  • 4-hydroxy-5-(1,2,3-trihydroxy-3-phenyl-propyl)-dihydro-furan-2-one
  • 4h-1,2-benzoxazine-3-carboxamide, 5-chloro-n-(7,8-dimethoxy-2-oxo-2h-1-benzopyran-3-yl)-4a,5,8,8a-tetrahydro-4a,8-dihydroxy-, (4ar,5r,8r,8as)-
  • cardiobutanolide
  • rel-(4r,5s)-4-hydroxy-5-[(1s,2r,3r)-1,2,3-trihydroxy-3-phenylpropyl]dihydrofuran-2(3h)-one (non-preferred name)
InChIKey ITWCBKGNWXDVFP-XTAFZBPGSA-N
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