4-(Hydroxymethyl)-1-(α-D-Mannopyranosyl)-1H-1,2,3-Triazole

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Properties Simple | Detailed

Formula C9H15N3O6
IUPAC Name (2r,3s,4s,5s,6s)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)triazol-1-yl]tetrahydropyran-3,4,5-triol
Molecular Mass 261.232 g·mol−1
Heat of Formation -880.1 ± 16.7 kJ·mol−1
Dipole Moment 4.11 ± 1.08 D
Volume 287.32 Å 3
Surface Area 256.51 Å 2
HOMO Energy -10.47 ± 0.55 eV
LUMO Energy 2.47 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5s,6s)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)-1,2,3-triazol-1-yl]oxane-3,4,5-triol
  • (2r,3s,4s,5s,6s)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)-1-triazolyl]tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5s,6s)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)triazol-1-yl]oxane-3,4,5-triol
  • (2r,3s,4s,5s,6s)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)triazol-1-yl]tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5s,6s)-2-methylol-6-(4-methyloltriazol-1-yl)tetrahydropyran-3,4,5-triol
InChIKey BHGZOVXPACYZLI-DFTQBPQZSA-N
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