Mrv0541 02241221282D          

 11  8  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    0.8839    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
   -1.2219   -3.6020    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.3969   -3.6020    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3969   -4.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4281   -3.6020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3969   -2.7770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3175   -2.3645    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.7300   -3.0789    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.0950   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0320   -1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
M  CHG  4   1   1   2   1   3  -1   9  -1
M  END
> <DATABASE_ID>
CHEM007254

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/2K.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+1;/p-2

> <INCHI_KEY>
CQAIPTBBCVQRMD-UHFFFAOYSA-L

> <FORMULA>
H2K2O7P2

> <MOLECULAR_WEIGHT>
254.1558

> <EXACT_MASS>
253.854989164

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
9.679950892465913

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dipotassium hydrogen (hydrogen phosphonatooxy)phosphonate

> <JCHEM_LOGP>
-1.4419023016666666

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.040391741362254

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7026764435673858

> <JCHEM_POLAR_SURFACE_AREA>
129.95

> <JCHEM_REFRACTIVITY>
23.2814

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
dipotassium diphosphate(2-)

> <JCHEM_VEBER_RULE>
0

> <NAME>
POTASSIUM ACID PYROPHOSPHATE

> <CAS>
14691-84-0

$$$$