(5R,6S,7S,8S)-5-(Hydroxymethyl)-5,6,7,8-Tetrahydrotetrazolo[1,5-A]Pyridine-6,7,8-Triol

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Formula C6H10N4O4
IUPAC Name (2r,3s,4s,5s)-2-(hydroxymethyl)-8,9-diaza-1-azonia-7-azanidabicyclo[4.3.0]nona-1(6),8-diene-3,4,5-triol
Molecular Mass 202.168 g·mol−1
Heat of Formation -440.2 ± 16.7 kJ·mol−1
Dipole Moment 5.55 ± 1.08 D
Volume 211.28 Å 3
Surface Area 196.79 Å 2
HOMO Energy -10.98 ± 0.55 eV
LUMO Energy 2.30 ± eV
Point Group Symmetry C1
Synonyms
  • (5r, 6s, 7s, 8s)-5-hydroxymethyl-6,7,8-trihydroxy-tetrazolo[1,5-a]piperidine
  • (5r,6s,7s,8s)-5-(hydroxymethyl)-5,6,7,8-tetrahydro-[1,2,3,4]tetrazolo[5,1-f]pyridine-6,7,8-triol
  • (5r,6s,7s,8s)-5-(hydroxymethyl)-5,6,7,8-tetrahydrotetrazolo[5,1-f]pyridine-6,7,8-triol
  • (5r,6s,7s,8s)-5-methylol-5,6,7,8-tetrahydrotetrazolo[5,1-f]pyridine-6,7,8-triol
  • gtz
InChIKey UCJXQRFJERKPOZ-MGCNEYSASA-N
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