(1R,2S,3R)-1-{5-[(2S,3R)-2,3,4-Trihydroxybutyl]-2-Pyrazinyl}-1,2,3,4-Butanetetrol

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Formula C12H20N2O7
IUPAC Name (1r,2s,3r)-1-[5-[(2s,3r)-2,3,4-trihydroxybutyl]pyrazin-2-yl]butane-1,2,3,4-tetrol
Molecular Mass 304.296 g·mol−1
Heat of Formation -1247.3 ± 16.7 kJ·mol−1
Dipole Moment 3.48 ± 1.08 D
Volume 345.99 Å 3
Surface Area 310.14 Å 2
HOMO Energy -10.34 ± 0.55 eV
LUMO Energy -1.59 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2s,3r)-1-[5-[(2s,3r)-2,3,4-trihydroxybutyl]-2-pyrazinyl]butane-1,2,3,4-tetrol
  • 1,2,3,4-butanetetrol, 1-(5-(2,3,4-trihydroxybutyl)pyrazinyl)-, (1r-(1r*(2s*,3r*),2s*,3r*))-
  • deoxyfructosazine
InChIKey FBDICDJCXVZLIP-VSSNEEPJSA-N
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