(3S,4S,5S)-3,4-Dihydroxy-5-(Hydroxymethyl)-3-{(2E)-3-[(2R,3R)-3-Nonyl-2-Oxiranyl]-2-Propenoyl}-2-Pyrrolidinone

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Properties Simple | Detailed

Formula C19H31NO6
IUPAC Name (3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)-3-[(e)-3-[(2r,3r)-3-nonyloxiran-2-yl]prop-2-enoyl]pyrrolidin-2-one
Molecular Mass 369.453 g·mol−1
Heat of Formation -1051.7 ± 16.7 kJ·mol−1
Dipole Moment 5.57 ± 1.08 D
Volume 481.5 Å 3
Surface Area 376.33 Å 2
HOMO Energy -10.11 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)-3-[(e)-3-[(2r,3r)-3-nonyl-2-oxiranyl]-1-oxoprop-2-enyl]-2-pyrrolidinone
  • (3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)-3-[(e)-3-[(2r,3r)-3-nonyloxiran-2-yl]prop-2-enoyl]pyrrolidin-2-one
  • (3s,4s,5s)-3,4-dihydroxy-5-methylol-3-[(e)-3-[(2r,3r)-3-nonyloxiran-2-yl]acryloyl]-2-pyrrolidone
InChIKey BOWRHOKHYKPEAR-YRMVZDNFSA-N
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