(1S,2R,3S,4S,5R,6S)-2,4-Dicarbamimidamido-5-{[5-Deoxy-3-C-(Hydroxymethyl)-α-L-Lyxofuranosyl]Oxy}-3,6-Dihydroxycyclohexyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C14H29N6O11P
IUPAC Name [(1s,2r,3s,4s,5r,6s)-5-[(2r,3r,4s,5s)-3,4-dihydroxy-4-(hydroxymethyl)-5-methyl-tetrahydrofuran-2-yl]oxy-2,4-diguanidino-3,6-dihydroxy-cyclohexyl] dihydrogen phosphate
Molecular Mass 488.387 g·mol−1
Heat of Formation -2300.1 ± 16.7 kJ·mol−1
Dipole Moment 3.32 ± 1.08 D
Volume 529.47 Å 3
Surface Area 400.49 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy 0.08 ± eV
Point Group Symmetry C1
Synonyms
  • [(1s,2r,3s,4s,5r,6s)-2,4-bis(diaminomethylideneamino)-5-[(2r,3r,4s,5s)-3,4-dihydroxy-4-(hydroxymethyl)-5-methyl-oxolan-2-yl]oxy-3,6-dihydroxy-cyclohexyl] dihydrogen phosphate
  • [(1s,2r,3s,4s,5r,6s)-5-[(2r,3r,4s,5s)-3,4-dihydroxy-4-(hydroxymethyl)-5-methyl-tetrahydrofuran-2-yl]oxy-2,4-diguanidino-3,6-dihydroxy-cyclohexyl] dihydrogen phosphate
  • [(1s,2r,3s,4s,5r,6s)-5-[(2r,3r,4s,5s)-3,4-dihydroxy-5-methyl-4-methylol-tetrahydrofuran-2-yl]oxy-2,4-diguanidino-3,6-dihydroxy-cyclohexyl] dihydrogen phosphate
  • [(1s,2r,3s,4s,5r,6s)-5-[[(2r,3r,4s,5s)-3,4-dihydroxy-4-(hydroxymethyl)-5-methyl-2-tetrahydrofuranyl]oxy]-2,4-diguanidino-3,6-dihydroxycyclohexyl] dihydrogen phosphate
InChIKey RUBKAAVMXLSLAZ-UVTYLADFSA-N
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