(3S,4R,5R,6S)-3,4,5,6-Azepanetetrol

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Formula C6H13NO4
IUPAC Name (3s,4r,5r,6s)-azepane-3,4,5,6-tetrol
Molecular Mass 163.172 g·mol−1
Heat of Formation -744.5 ± 16.7 kJ·mol−1
Dipole Moment 3.93 ± 1.08 D
Volume 190.03 Å 3
Surface Area 179.68 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy 4.91 ± eV
Point Group Symmetry C1
Synonyms
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  • 3
  • 4
  • 5
  • 6
  • a
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  • l
  • n
  • o
  • p
  • r
  • s
  • t
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InChIKey MRFFNLOQLBWKPJ-UNTFVMJOSA-N
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