(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl Trihydrogen Diphosphate

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Properties Simple | Detailed

Formula C6H12N3O7P2
IUPAC Name [(4-amino-2-methyl-pyrimidine-1,3-diium-5-id-5-yl)methoxy-oxido-phosphoryl] hydrogen phosphate
Molecular Mass 300.123 g·mol−1
Heat of Formation -1474.9 ± 16.7 kJ·mol−1
Dipole Moment 3.10 ± 1.08 D
Volume 281.55 Å 3
Surface Area 262.69 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
Synonyms
  • (4-amino-2-methyl-5-pyrimidinyl)methyl phosphono hydrogen phosphate
  • (4-amino-2-methyl-pyrimidin-5-yl)methyl phosphono hydrogen phosphate
  • (4-amino-2-methylpyrimidin-5-yl)methyl diphosphate
  • (4-amino-2-methylpyrimidin-5-yl)methyl phosphono hydrogen phosphate
  • (4-amino-2-methylpyrimidin-5-yl)methyl trihydrogen diphosphate
  • 2-methyl-4-amino-5-hydroxymethylpyrimidine diphosphate
  • 4-amino-2-methyl-5-diphosphomethylpyrimidine
  • 4-amino-5-hydroxymethyl-2-methylpyrimidine-pp
  • 4-amino-5-hydroxymethyl-2-methylpyrimidine-pyrophosphate
  • hmp-pp
CAS Number(s)
  • 841-01-0
InChIKey AGQJQCFEPUVXNK-UHFFFAOYSA-N
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