Ranunculin

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Properties Simple | Detailed

Formula C11H16O8
IUPAC Name (2s)-2-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-2h-furan-5-one
Molecular Mass 276.240 g·mol−1
Heat of Formation -1330.2 ± 16.7 kJ·mol−1
Dipole Moment 5.21 ± 1.08 D
Volume 305.55 Å 3
Surface Area 279.18 Å 2
HOMO Energy -10.64 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
Synonyms
  • (5s)-5-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]-5h-furan-2-one
  • (5s)-5-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5h-furan-2-one
  • (5s)-5-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-5h-furan-2-one
  • (5s)-5-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]-5h-furan-2-one
CAS Number(s)
  • 644-69-9
InChIKey TYWXNGXVSZRXNA-NVZSGMJQSA-N
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