o,p-dinitrophenyl aminoethyldiphosphate-beryllium trifluoride

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 51
Total Number of Articles : 29
PubChem 42626560
Molecular Formula

C8H11BeF3N3O11P2-

SMILES

[Be+2].C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCOP(=O)(O)OP(=O)(O)O.[F-].[F-].[F-]

InChI

InChI=1S/C8H11N3O11P2.Be.3FH/c12-10(13)6-1-2-7(8(5-6)11(14)15)9-3-4-21-24(19,20)22-23(16,17)18;;;;/h1-2,5,9H,3-4H2,(H,19,20)(H2,16,17,18);;3*1H/q;+2;;;/p-3

synonyms
  • o,p-dinitrophenyl aminoethyldiphosphate-beryllium trifluoride
  • DAE
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Properties
Property Value
MW 453.14 g/mol
HBD 4
HBA 15
Rotatable Bond Count 7
Exact Mass 452.9942747 g/mol
Monoisotopic Mass 452.9942747 g/mol
Heavy Atom Count 28
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 5
Complexity 554
xlogp None
Topological Polar Surface Area 217