{4-[({4-[(Diaminomethylene)Amino]Butyl}Amino)Methyl]-5-Hydroxy-6-Methyl-3-Pyridinyl}Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C13H24N5O5P
IUPAC Name [4-[(4-guanidinobutylamino)methyl]-5-hydroxy-6-methyl-3-pyridyl]methyl dihydrogen phosphate
Molecular Mass 361.334 g·mol−1
Heat of Formation -1078.0 ± 16.7 kJ·mol−1
Dipole Moment 1.12 ± 1.08 D
Volume 424.7 Å 3
Surface Area 388.31 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • [4-[[4-(diaminomethylideneamino)butylamino]methyl]-5-hydroxy-6-methyl-pyridin-3-yl]methyl dihydrogen phosphate
  • [4-[[4-(diaminomethylideneamino)butylamino]methyl]-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate
  • pl2
InChIKey SIKJBFNFPRPKQR-UHFFFAOYSA-N
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