Mrv1533007131513502D          

 12  7  0  0  0  0            999 V2000
   -0.8250   -0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.6500    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    3.3000    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.6500    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.6500    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 11  5  1  0  0  0  0
 11  6  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  1  0  0  0  0
 12  9  1  0  0  0  0
 12 10  2  0  0  0  0
 12 11  1  0  0  0  0
M  CHG  8   1   1   2   1   3   1   4   1   5  -1   6  -1   8  -1   9  -1
M  END
> <DATABASE_ID>
CHEM007268

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/4K.H4O6P2/c;;;;1-7(2,3)8(4,5)6/h;;;;(H2,1,2,3)(H2,4,5,6)/q4*+1;/p-4

> <INCHI_KEY>
RILFGEIJJMTZLZ-UHFFFAOYSA-J

> <FORMULA>
K4O6P2

> <MOLECULAR_WEIGHT>
314.335

> <EXACT_MASS>
313.77183768

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
8.257037147307436

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tetrapotassium phosphonatophosphonate

> <JCHEM_LOGP>
-1.5930052313333332

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
4.236671347075575

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.3798528443671074

> <JCHEM_POLAR_SURFACE_AREA>
126.38

> <JCHEM_REFRACTIVITY>
19.687800000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
tetrapotassium phosphonatophosphonate

> <JCHEM_VEBER_RULE>
0

> <NAME>
POTASSIUM HYPOPHOSPHATE

> <CAS>
99690-64-9

$$$$