(1S,2S,3S)-3-Amino-5-(Hydroxymethyl)-4-Cyclohexene-1,2-Diol

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Properties Simple | Detailed

Formula C7H13NO3
IUPAC Name (1s,2s,3s)-3-amino-5-(hydroxymethyl)cyclohex-4-ene-1,2-diol
Molecular Mass 159.183 g·mol−1
Heat of Formation -541.9 ± 16.7 kJ·mol−1
Dipole Moment 1.56 ± 1.08 D
Volume 193.25 Å 3
Surface Area 185.69 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy 0.14 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2s,3s)-3-amino-5-(hydroxymethyl)cyclohex-4-ene-1,2-diol
  • (1s,2s,3s)-3-amino-5-methylol-cyclohex-4-ene-1,2-diol
  • 1-amino-2,3-dihydroxy-5-hydroxymethyl cyclohex-5-ene
InChIKey BMZJPVSGERKRHP-ACZMJKKPSA-N
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