(1S,2R,3S,4S,5R,6S)-2,4-Dicarbamimidamido-3,5,6-Trihydroxycyclohexyl Dihydrogen Phosphate

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Formula C8H21N6O7P
IUPAC Name [(1s,3r,4s,5r,6s)-2,4-bis[[amino(azaniumylidene)methyl]amino]-3,5,6-trihydroxy-cyclohexyl] hydrogen phosphate
Molecular Mass 344.262 g·mol−1
Heat of Formation -1525.7 ± 16.7 kJ·mol−1
Dipole Moment 9.36 ± 1.08 D
Volume 355.61 Å 3
Surface Area 307.72 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 0.39 ± eV
Point Group Symmetry C1
Synonyms
  • [(1s,2r,3s,4s,5r,6s)-2,4-bis(diaminomethylideneamino)-3,5,6-trihydroxy-cyclohexyl] dihydrogen phosphate
  • [(1s,2r,3s,4s,5r,6s)-2,4-diguanidino-3,5,6-trihydroxy-cyclohexyl] dihydrogen phosphate
  • [(1s,2r,3s,4s,5r,6s)-2,4-diguanidino-3,5,6-trihydroxycyclohexyl] dihydrogen phosphate
InChIKey UUUGVWGQJIFFRM-FUHDGFEASA-N
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