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diphosphate(1-),pyrophosphate-group,trihydrogen diphosphate,CHEBI:3301

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摘 要:diphosphate(1-),pyrophosphate-group,trihydrogen diphosphate,CHEBI:33017,H3P2O7(-), phosphono hydrogen phosphate,Canonical SMILES: OP(=O)(O)OP(=O)(O)[O-],InChI: InChI=1/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,,6)/p-1/fH3O7P2/h1-2,4H/q-1,Molecular
[Synonyms]
diphosphate(1-)
pyrophosphate-group
trihydrogen diphosphate
CHEBI:33017
H3P2O7(-)

[Structure]
diphosphate(1-),pyrophosphate-group,trihydrogen diphosphate,CHEBI:3301

[ Properties Computed from Structure]
Molecular Weight176.967142 [g/mol]
Molecular FormulaH3O7P2-
H-Bond Donor3
H-Bond Acceptor7
Rotatable Bond Count2
Exact Mass176.9354
MonoIsotopic Mass176.9354
Topological Polar Surface Area127
Heavy Atom Count9
Formal Charge-1
Complexity165
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: phosphono hydrogen phosphate
Canonical SMILES: OP(=O)(O)OP(=O)(O)[O-]
InChI: InChI=1/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,
6)/p-1/fH3O7P2/h1-2,4H/q-1

 
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