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[6-(bis(phosphonooxymethyl)amino)hexyl-(phosphonooxymethyl)amino]meth

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摘 要: [6-(bis(phosphonooxymethyl)amino)hexyl-(phosphonooxymethyl)amino]methyl,dihydrogen phosphate,Canonical SMILES: C(CCCN(COP(=O)(O)O)COP(=O)(O)O)CCN(COP(=O)(O)O)COP(=O)(O)O,InChI: InChI=1/C10H28N2O16P4/c13-29(14,15)25-7-11(8-26-30(16,,17)18)5-3-1-2-4-6
[Synonyms]

[Structure]
 [6-(bis(phosphonooxymethyl)amino)hexyl-(phosphonooxymethyl)amino]meth

[ Properties Computed from Structure]
Molecular Weight556.228164 [g/mol]
Molecular FormulaC10H28N2O16P4
XLogP-5.9
H-Bond Donor8
H-Bond Acceptor18
Rotatable Bond Count19
Exact Mass556.038929
MonoIsotopic Mass556.038929
Topological Polar Surface Area274
Heavy Atom Count32
Formal Charge0
Complexity602
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: [6-(bis(phosphonooxymethyl)amino)hexyl-(phosphonooxymethyl)amino]methyl
dihydrogen phosphate
Canonical SMILES: C(CCCN(COP(=O)(O)O)COP(=O)(O)O)CCN(COP(=O)(O)O)COP(=O)(O)O
InChI: InChI=1/C10H28N2O16P4/c13-29(14,15)25-7-11(8-26-30(16,
17)18)5-3-1-2-4-6-12(9-27-31(19,20)21)10-28-32(22,23)24/h1-10H2,(H2,13,
14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/f/h13-14,16-17,19-20,
22-23H

 
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