(1R,2R,3R,7S,7As)-3-(Hydroxymethyl)Hexahydro-1H-Pyrrolizine-1,2,7-Triol

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Formula C8H15NO4
IUPAC Name (1r,2r,3r,4r,7s,8s)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1h-pyrrolizine-1,2,7-triol
Molecular Mass 189.209 g·mol−1
Heat of Formation -745.7 ± 16.7 kJ·mol−1
Dipole Moment 2.11 ± 1.08 D
Volume 221.23 Å 3
Surface Area 203.47 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 1.71 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,3r,7s,7as)-3-hydroxymethyl-1,2,7-trihydroxypyrrolizidine
  • (1r,2r,3r,7s,8s)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1h-pyrrolizine-1,2,7-triol
  • (1r,2r,3r,7s,8s)-3-methylolpyrrolizidine-1,2,7-triol
  • alexine
CAS Number(s)
  • 116174-63-1
InChIKey AIQMLBKBQCVDEY-DWOUCZDBSA-N
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