(1S,3R,4S,6R)-4-Amino-6-(Hydroxymethyl)-1,3-Cyclohexanediol

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Properties Simple | Detailed

Formula C7H15NO3
IUPAC Name (1s,3r,4s,6r)-4-amino-6-(hydroxymethyl)cyclohexane-1,3-diol
Molecular Mass 161.199 g·mol−1
Heat of Formation -650.2 ± 16.7 kJ·mol−1
Dipole Moment 4.87 ± 1.08 D
Volume 195.31 Å 3
Surface Area 181.7 Å 2
HOMO Energy -9.99 ± 0.55 eV
LUMO Energy 5.47 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3r,4s,6r)-4-amino-6-(hydroxymethyl)cyclohexane-1,3-diol
  • (1s,3r,4s,6r)-4-amino-6-methylol-cyclohexane-1,3-diol
  • 1,3-cyclohexanediol, 4-amino-6-(hydroxymethyl)-, (1s-(1alpha,3alpha,4alpha,6beta))-
  • deoxyvalidamine
CAS Number(s)
  • 100157-27-5
InChIKey FFRMLFVGYPMNPT-JRTVQGFMSA-N
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