13-[(2R,3R,4R,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Pyrrolidinyl]-1-Hydroxy-5-Tridecanone

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Formula C18H35NO5
IUPAC Name 13-[(2r,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1-hydroxy-tridecan-5-one
Molecular Mass 345.474 g·mol−1
Heat of Formation -1134.4 ± 16.7 kJ·mol−1
Dipole Moment 3.10 ± 1.08 D
Volume 465.33 Å 3
Surface Area 427.92 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy 0.83 ± eV
Point Group Symmetry C1
Synonyms
  • 13-[(2r,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]-1-hydroxytridecan-5-one
  • 13-[(2r,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1-hydroxy-tridecan-5-one
  • 13-[(2r,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1-hydroxytridecan-5-one
  • 13-[(2r,3r,4r,5r)-3,4-dihydroxy-5-methylol-pyrrolidin-2-yl]-1-hydroxy-tridecan-5-one
CAS Number(s)
  • 173220-08-1
InChIKey HLJOKJJUFIWVNY-BRSBDYLESA-N
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