(2R,3S)-5-{[(2S)-3-(Tert-Butylamino)-2-Hydroxypropyl]Oxy}-1,2,3,4-Tetrahydronaphthalene-2,3-Diol

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Properties Simple | Detailed

Formula C17H27NO4
IUPAC Name (2r,3s)-5-[(2s)-3-(tert-butylamino)-2-hydroxy-propoxy]tetralin-2,3-diol
Molecular Mass 309.401 g·mol−1
Heat of Formation -804.6 ± 16.7 kJ·mol−1
Dipole Moment 2.31 ± 1.08 D
Volume 391.52 Å 3
Surface Area 314.9 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s)-5-[(2s)-3-(tert-butylamino)-2-hydroxy-propoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol
  • (2r,3s)-5-[(2s)-3-(tert-butylamino)-2-hydroxy-propoxy]tetralin-2,3-diol
  • (2r,3s)-5-[(2s)-3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol
  • (2r,3s)-5-[(2s)-3-(tert-butylamino)-2-hydroxypropoxy]tetralin-2,3-diol
InChIKey VWPOSFSPZNDTMJ-CFVMTHIKSA-N
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