(1S,2S,3S,6R)-4-(Hydroxymethyl)-6-(Octylamino)-4-Cyclohexene-1,2,3-Triol

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Properties Simple | Detailed

Formula C15H29NO4
IUPAC Name (1s,2s,3s,6r)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol
Molecular Mass 287.395 g·mol−1
Heat of Formation -862.6 ± 16.7 kJ·mol−1
Dipole Moment 3.40 ± 1.08 D
Volume 378.05 Å 3
Surface Area 352.06 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2s,3s,6r)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol
  • (1s,2s,3s,6r)-4-methylol-6-(octylamino)cyclohex-4-ene-1,2,3-triol
InChIKey UPZUHYMBTUUPML-QPSCCSFWSA-N
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