1,4-Dideoxy-1,4-Imino-D-Mannitol

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Properties Simple | Detailed

Formula C6H13NO4
IUPAC Name (2r,3s,4r)-2-[(1s)-1,2-dihydroxyethyl]pyrrolidine-3,4-diol
Molecular Mass 163.172 g·mol−1
Heat of Formation -730.7 ± 16.7 kJ·mol−1
Dipole Moment 1.88 ± 1.08 D
Volume 190.94 Å 3
Surface Area 185.04 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy 1.91 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4r)-2-[(1s)-1,2-dihydroxyethyl]pyrrolidine-3,4-diol
  • 114976-76-0 (hydrochloride)
CAS Number(s)
  • 95189-02-9
InChIKey RVNSAAIWCWTCTJ-KVTDHHQDSA-N
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