Mrv0541 02241216122D          

 18 12  0  0  0  0            999 V2000
   -1.4022   -2.5984    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
   -2.5572   -2.5159    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
   -3.7122   -2.5159    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    0.2479   -2.6810    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    1.6497   -2.8459    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
   -0.4121    1.1959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4121    2.0209    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4121    2.8459    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.2372    2.0209    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.4129    2.0209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2372    2.0209    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.2372    1.1959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0622    2.0209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8872    2.0209    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.8872    2.8459    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2372    2.8459    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8872    1.1959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7122    2.0209    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 16  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
M  CHG  8   1   1   2   1   3   1   4   1   5   1   8  -1   9  -1  15  -1
M  CHG  2  16  -1  18  -1
M  END
> <DATABASE_ID>
FDB013383

> <DATABASE_NAME>
foodb

> <SMILES>
[K+].[K+].[K+].[K+].[K+].[O-]P([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/5K.H5O10P3/c;;;;;1-11(2,3)9-13(7,8)10-12(4,5)6/h;;;;;(H,7,8)(H2,1,2,3)(H2,4,5,6)/q5*+1;/p-5

> <INCHI_KEY>
ATGAWOHQWWULNK-UHFFFAOYSA-I

> <FORMULA>
K5O10P3

> <MOLECULAR_WEIGHT>
448.4068

> <EXACT_MASS>
447.688965061

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
13.184085478359322

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
pentapotassium bis(phosphonatooxy)phosphinate

> <JCHEM_LOGP>
-1.8637007806666663

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
2.4301601277213587

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.8897367049259062

> <JCHEM_POLAR_SURFACE_AREA>
184.97

> <JCHEM_REFRACTIVITY>
30.789200000000008

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
pentapotassium triphosphate

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB013383

> <GENERIC_NAME>
Potassium triphosphate (K5(P3O10))

$$$$