(+)-Validamine

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Properties Simple | Detailed

Formula C7H15NO4
IUPAC Name (1r,2s,3s,4s,6r)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol
Molecular Mass 177.198 g·mol−1
Heat of Formation -825.7 ± 16.7 kJ·mol−1
Dipole Moment 1.46 ± 1.08 D
Volume 210.47 Å 3
Surface Area 194.26 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy 1.70 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2s,3s,4s,6r)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol
  • (1r,2s,3s,4s,6r)-4-amino-6-methylol-cyclohexane-1,2,3-triol
  • d-chiro-inositol, 1-amino-1,5,6-trideoxy-5-(hydroxymethyl)-
InChIKey GSQYAWMREAXBHF-UOYQFSTFSA-N
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