(2R,3R,4R)-2-(Hydroxymethyl)-1-Methyl-3,4-Pyrrolidinediol

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Properties Simple | Detailed

Formula C6H13NO3
IUPAC Name (1r,2r,3r,4r)-2-(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol
Molecular Mass 147.172 g·mol−1
Heat of Formation -572.8 ± 16.7 kJ·mol−1
Dipole Moment 3.91 ± 1.08 D
Volume 182.88 Å 3
Surface Area 176.96 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy 5.04 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4r)-1-methyl-2-methylol-pyrrolidine-3,4-diol
  • (2r,3r,4r)-2-(hydroxymethyl)-1-methyl-pyrrolidine-3,4-diol
  • (2r,3r,4r)-2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol
  • 188905-21-7 (hydrochloride)
  • 3,4-pyrrolidinediol, 2-(hydroxymethyl)-1-methyl-, (2r,3r,4r)-
  • medab
  • n-methyl-1,4-dideoxy-1,4-imino-d-arabinitol
CAS Number(s)
  • 117956-55-5
InChIKey UBVOJPDDTVFNFJ-HSUXUTPPSA-N
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