Compound 68
  CheckMol                        TMF02:r0:m0
MF=H8Na4O7P2 MW=273.97
 13  8  0  0  0               999 V2000
    0.0000   -0.0000   -0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1606   -0.9517   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9749    1.1606   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1373    0.9749   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9517   -1.1373   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4604    0.9168   -0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7273    2.4024   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9459    0.6731   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2167   -0.5455   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424    1.0213   -0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    2.3211   -2.7853   -0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8066   -2.3211   -0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
   -6.2206    0.7428   -0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
M  CHG  1   4  -1
M  CHG  1   5  -1
M  CHG  1   8  -1
M  CHG  1   9  -1
M  CHG  1  10   1
M  CHG  1  11   1
M  CHG  1  12   1
M  CHG  1  13   1
M  END

2D Structure

Sodium Pyrophosphate

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Chemical Name - Sodium Pyrophosphate
Mol Weight - 173.941
Smiles - [O-]P([O-])(OP([O-])([O-])=O)=O.[Na+].[Na+].[Na+].[Na+]

Property Name	Property Value
Mol Name	Sodium Pyrophosphate
Molweight	173.941
Monoisotopic Mass	173.911929
Clogp	-12.487
Clogs	3.034
H Acceptors	7
Total Surface Area	101.16
Relative Psa	1
Polar Surface Area	155.23
Druglikeness	-20.978
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.55556
Molecular Flexibility	0.8346
Molecular Complexity	0.54931
Fragments	5
Non H Atoms	9
Non Ch Atoms	9
Electronegative Atoms	9
Rotatable Bonds	2
Sp3 Atoms	7
Symmetric Atoms	5
Acidic Oxygens	4
Smiles	[O-]P([O-])(OP([O-])([O-])=O)=O.[Na+].[Na+].[Na+].[Na+]
InChIKey	InChI=1S/4Na.H4O7P2/c;;;;1-8(2,3)7-9(4,5)6/h;;;;(H2,1,2,3)(H2,4,5,6)/q4*+1;/p-4
InChI	FQENQNTWSFEDLI-UHFFFAOYSA-J

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