(1S,2S,3R,6R)-6-[(2-Hydroxybenzyl)Amino]-4-Cyclohexene-1,2,3-Triol

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Properties Simple | Detailed

Formula C13H17NO4
IUPAC Name (1s,2s,3r,6r)-6-[(2-hydroxyphenyl)methylamino]cyclohex-4-ene-1,2,3-triol
Molecular Mass 251.278 g·mol−1
Heat of Formation -613.9 ± 16.7 kJ·mol−1
Dipole Moment 4.59 ± 1.08 D
Volume 299.49 Å 3
Surface Area 269.64 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 3.01 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2s,3r,6r)-6-[(2-hydroxybenzyl)amino]cyclohex-4-ene-1,2,3-triol
  • (1s,2s,3r,6r)-6-[(2-hydroxyphenyl)methylamino]cyclohex-4-ene-1,2,3-triol
InChIKey IXUCFEUMPUFAGK-XEZLXBQYSA-N
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